1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

C10H18FN — CID 11480705

IUPAC1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESFCC1NCCC2CCCCC21
InChIInChI=1S/C10H18FN/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h8-10,12H,1-7H2
InChIKeyVQLOWHUUOCAVNO-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.12
Rot. Bonds1

About 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (PubChem CID 11480705) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.

Molecular Properties

Compound Name1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
PubChem CID11480705
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESFCC1NCCC2CCCCC21
InChIInChI=1S/C10H18FN/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h8-10,12H,1-7H2
InChIKeyVQLOWHUUOCAVNO-UHFFFAOYSA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 84718322
3-cyclopentyl-2-(2-methylpropyl)pyrrolidine
CID 62763094
2-chloro-3-cyclohexylpiperidine
CID 89323550
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benzo[e]indole
CID 112714659
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-1-yl)formamide
CID 141086856
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
(2S)-2-(fluoromethyl)azetidine
CID 21041488
16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane
CID 137397804
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
18-[5-(2-azabicyclo[8.7.0]heptadecan-17-yl)cyclooctyl]-2-azabicyclo[8.8.0]octadecane
CID 137398080
2-ethyl-3-(oxan-3-yl)pyrrolidine
CID 63739901
[(3S,3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl]methanamine
CID 66703870

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The IUPAC name of 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (CID 11480705) is 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.
What is the SMILES notation for 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The canonical SMILES for 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is FCC1NCCC2CCCCC21.
What is the InChIKey of 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The InChIKey is VQLOWHUUOCAVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h8-10,12H,1-7H2.
What are the key properties of 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline has a molecular weight of 171.26 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is sourced from PubChem (CID 11480705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).