(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine

C8H16FN — CID 125452174

IUPAC(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CC[C@H](C)[C@@H](F)[C@H]1N
InChIInChI=1S/C8H16FN/c1-5-3-4-6(2)8(10)7(5)9/h5-8H,3-4,10H2,1-2H3/t5-,6+,7+,8-/m0/s1
InChIKeyWGKWXJJSLHJBEF-OSMVPFSASA-N
MW145.22 g/mol
LogP1.72
Rot. Bonds

About (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine

(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine (PubChem CID 125452174) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine
PubChem CID125452174
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine
SMILESC[C@@H]1CC[C@H](C)[C@@H](F)[C@H]1N
InChIInChI=1S/C8H16FN/c1-5-3-4-6(2)8(10)7(5)9/h5-8H,3-4,10H2,1-2H3/t5-,6+,7+,8-/m0/s1
InChIKeyWGKWXJJSLHJBEF-OSMVPFSASA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine?
The IUPAC name of (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine (CID 125452174) is (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine?
The canonical SMILES for (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine is C[C@@H]1CC[C@H](C)[C@@H](F)[C@H]1N.
What is the InChIKey of (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine?
The InChIKey is WGKWXJJSLHJBEF-OSMVPFSASA-N. The full InChI is InChI=1S/C8H16FN/c1-5-3-4-6(2)8(10)7(5)9/h5-8H,3-4,10H2,1-2H3/t5-,6+,7+,8-/m0/s1.
What are the key properties of (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine?
(1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,6R)-2-fluoro-3,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 125452174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).