(3R,6S)-6-fluoro-3-methylcyclohexen-1-amine

C7H12FN — CID 118069798

IUPAC(3R,6S)-6-fluoro-3-methylcyclohexen-1-amine
SMILESC[C@H]1C=C(N)[C@@H](F)CC1
InChIInChI=1S/C7H12FN/c1-5-2-3-6(8)7(9)4-5/h4-6H,2-3,9H2,1H3/t5-,6+/m1/s1
InChIKeyUQMGBQLYKSNXHR-RITPCOANSA-N
MW129.18 g/mol
LogP1.60
Rot. Bonds

About (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine

(3R,6S)-6-fluoro-3-methylcyclohexen-1-amine (PubChem CID 118069798) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine.

Molecular Properties

Compound Name(3R,6S)-6-fluoro-3-methylcyclohexen-1-amine
PubChem CID118069798
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(3R,6S)-6-fluoro-3-methylcyclohexen-1-amine
SMILESC[C@H]1C=C(N)[C@@H](F)CC1
InChIInChI=1S/C7H12FN/c1-5-2-3-6(8)7(9)4-5/h4-6H,2-3,9H2,1H3/t5-,6+/m1/s1
InChIKeyUQMGBQLYKSNXHR-RITPCOANSA-N
XLogP1.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-4-methylcyclohexen-1-amine
CID 88993024
4-Methyl-6-(trifluoromethyl)cyclohexen-1-amine
CID 89038480
6-Methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 89074118
4-(Trifluoromethyl)cyclohexen-1-amine
CID 89074199
6-Fluorocyclohexen-1-amine
CID 89217754
4-Fluorocyclohexen-1-amine
CID 89217760
(6R)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylcyclohexa-1,3-dien-1-amine
CID 89555619
(6R)-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
CID 89555692
3-Fluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 118242563
4-Fluoro-6-methylcyclohexen-1-amine
CID 118629867
5-(1,1-Difluoroethyl)-3-fluorocyclohexen-1-amine
CID 134409095
4-Fluoro-5-methylcyclohexa-1,3-dien-1-amine
CID 137484487

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine?
The IUPAC name of (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine (CID 118069798) is (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine.
What is the SMILES notation for (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine?
The canonical SMILES for (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine is C[C@H]1C=C(N)[C@@H](F)CC1.
What is the InChIKey of (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine?
The InChIKey is UQMGBQLYKSNXHR-RITPCOANSA-N. The full InChI is InChI=1S/C7H12FN/c1-5-2-3-6(8)7(9)4-5/h4-6H,2-3,9H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine?
(3R,6S)-6-fluoro-3-methylcyclohexen-1-amine has a molecular weight of 129.18 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-6-fluoro-3-methylcyclohexen-1-amine is sourced from PubChem (CID 118069798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).