[(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite

C17H25FO2 — CID 142402791

IUPAC[(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite
SMILESCC1=C2CCC3(C)C(CCC3[C@H](C)OF)C2CCC1=O
InChIInChI=1S/C17H25FO2/c1-10-12-8-9-17(3)14(11(2)20-18)5-6-15(17)13(12)4-7-16(10)19/h11,13-15H,4-9H2,1-3H3/t11-,13?,14?,15?,17?/m0/s1
InChIKeyLRHFNLPDCCYFRB-AOYIQCRGSA-N
MW280.38 g/mol
LogP4.40
Rot. Bonds2

About [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite

[(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite (PubChem CID 142402791) has the molecular formula C17H25FO2 and a molecular weight of 280.38 g/mol. Its IUPAC name is [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite.

Molecular Properties

Compound Name[(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite
PubChem CID142402791
Molecular FormulaC17H25FO2
Molecular Weight280.38 g/mol
Exact Mass280.18
IUPAC Name[(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite
SMILESCC1=C2CCC3(C)C(CCC3[C@H](C)OF)C2CCC1=O
InChIInChI=1S/C17H25FO2/c1-10-12-8-9-17(3)14(11(2)20-18)5-6-15(17)13(12)4-7-16(10)19/h11,13-15H,4-9H2,1-3H3/t11-,13?,14?,15?,17?/m0/s1
InChIKeyLRHFNLPDCCYFRB-AOYIQCRGSA-N
XLogP4.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,3aR)-3-hydroxy-3a,6-dimethyl-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-7-one
CID 13084352
(9aS)-3-hydroxy-3a,6-dimethyl-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-7-one
CID 129095073
[(1S)-1-[(10S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] hypofluorite
CID 142402795
(4aS,4bS,8aR)-1,7,7,8a-tetramethyl-3,4,4a,4b,5,6,8,9-octahydrofluoren-2-one
CID 102070786
[(3S,8S,9S,13S,14S,17S)-17-[(1S)-1-acetyloxyethyl]-13-methyl-6-oxo-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 22800270
N-[(E)-[(3S,3aR,9aS,9bS)-3a,6-dimethyl-3-[(2R)-6-methylheptan-2-yl]-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-7-ylidene]amino]-2,4-dinitroaniline
CID 125031289
1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]ethyl 2,2-dimethylpropanoate
CID 22870632
(8S,13R,14S)-17-(1,3-dihydroxypropyl)-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
CID 175934309
1-[(1S,3aS,3bS,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]ethyl 2,2-dimethylpropanoate
CID 70181114
(3R,4aS,6aR,6bS,11aS,11bS)-3-hydroxy-10,11b-dimethyl-2,3,4,4a,5,6,6a,6b,7,8,11,11a-dodecahydro-1H-benzo[a]fluoren-9-one
CID 102131510
(3R,3aS,10bR)-3a,6,9-trimethyl-3-propan-2-yl-2,3,4,5,7,8,10a,10b-octahydro-1H-benzo[e]azulene
CID 162877065
1-[(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,5,5a,8,9,9b,10,11-dodecahydro-1H-indeno[5,4-f]quinolin-1-yl]ethyl 2-propan-2-ylsulfanylacetate
CID 22870629

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite?
The IUPAC name of [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite (CID 142402791) is [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite.
What is the SMILES notation for [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite?
The canonical SMILES for [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite is CC1=C2CCC3(C)C(CCC3[C@H](C)OF)C2CCC1=O.
What is the InChIKey of [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite?
The InChIKey is LRHFNLPDCCYFRB-AOYIQCRGSA-N. The full InChI is InChI=1S/C17H25FO2/c1-10-12-8-9-17(3)14(11(2)20-18)5-6-15(17)13(12)4-7-16(10)19/h11,13-15H,4-9H2,1-3H3/t11-,13?,14?,15?,17?/m0/s1.
What are the key properties of [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite?
[(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite has a molecular weight of 280.38 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(3a,6-dimethyl-7-oxo-2,3,4,5,8,9,9a,9b-octahydro-1H-cyclopenta[a]naphthalen-3-yl)ethyl] hypofluorite is sourced from PubChem (CID 142402791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).