6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene

C15H27F — CID 170286025

IUPAC6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene
SMILESCC1CCC2C(C)CC(F)CCCCCC12
InChIInChI=1S/C15H27F/c1-11-8-9-15-12(2)10-13(16)6-4-3-5-7-14(11)15/h11-15H,3-10H2,1-2H3
InChIKeyHQDWFMIIWUBCHD-UHFFFAOYSA-N
MW226.38 g/mol
LogP4.98
Rot. Bonds

About 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene

6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene (PubChem CID 170286025) has the molecular formula C15H27F and a molecular weight of 226.38 g/mol. Its IUPAC name is 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene.

Molecular Properties

Compound Name6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene
PubChem CID170286025
Molecular FormulaC15H27F
Molecular Weight226.38 g/mol
Exact Mass226.21
IUPAC Name6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene
SMILESCC1CCC2C(C)CC(F)CCCCCC12
InChIInChI=1S/C15H27F/c1-11-8-9-15-12(2)10-13(16)6-4-3-5-7-14(11)15/h11-15H,3-10H2,1-2H3
InChIKeyHQDWFMIIWUBCHD-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.38
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene with MolForge

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Related Compounds

(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
2,6-dimethylbicyclo[3.2.0]heptane
CID 91170917
4-methyl-1,2,2a,3,4,4a,5,6,7,8,8a,8b-dodecahydrocyclobuta[a]naphthalene
CID 163896110
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
(2-methylcyclopropyl)cyclooctane
CID 19768877
1-iodo-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 122679457
cis-(1R,2S)-1-methyl-2-[(1R,2R)-2-[(1S,2R)-2-[(1S,2S)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane;cis-(1R,2S)-1-methyl-2-[(1S,2S)-2-[(1S,2R)-2-[(1R,2R)-2-[(1R,2S)-2-methylcyclopentyl]cyclopentyl]cyclopentyl]cyclopentyl]cyclopentane
CID 157247128
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
tricyclo[5.4.0.08,11]undecane
CID 176586412
(2,4-dimethylcyclohexyl)cyclononane
CID 163705330

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene?
The IUPAC name of 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene (CID 170286025) is 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene.
What is the SMILES notation for 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene?
The canonical SMILES for 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene is CC1CCC2C(C)CC(F)CCCCCC12.
What is the InChIKey of 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene?
The InChIKey is HQDWFMIIWUBCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F/c1-11-8-9-15-12(2)10-13(16)6-4-3-5-7-14(11)15/h11-15H,3-10H2,1-2H3.
What are the key properties of 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene?
6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene has a molecular weight of 226.38 g/mol, XLogP of 4.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,4-dimethyl-2,3,3a,4,5,6,7,8,9,10,11,11a-dodecahydro-1H-cyclopenta[10]annulene is sourced from PubChem (CID 170286025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).