(1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine

C9H18FN — CID 166689129

IUPAC(1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine
SMILESCC1CC[C@@](C)(N)C(C)C1F
InChIInChI=1S/C9H18FN/c1-6-4-5-9(3,11)7(2)8(6)10/h6-8H,4-5,11H2,1-3H3/t6?,7?,8?,9-/m1/s1
InChIKeyFEILNJLERASFSW-RLKGBJSKSA-N
MW159.25 g/mol
LogP2.11
Rot. Bonds

About (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine

(1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine (PubChem CID 166689129) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine
PubChem CID166689129
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine
SMILESCC1CC[C@@](C)(N)C(C)C1F
InChIInChI=1S/C9H18FN/c1-6-4-5-9(3,11)7(2)8(6)10/h6-8H,4-5,11H2,1-3H3/t6?,7?,8?,9-/m1/s1
InChIKeyFEILNJLERASFSW-RLKGBJSKSA-N
XLogP2.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine?
The IUPAC name of (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine (CID 166689129) is (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine?
The canonical SMILES for (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine is CC1CC[C@@](C)(N)C(C)C1F.
What is the InChIKey of (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine?
The InChIKey is FEILNJLERASFSW-RLKGBJSKSA-N. The full InChI is InChI=1S/C9H18FN/c1-6-4-5-9(3,11)7(2)8(6)10/h6-8H,4-5,11H2,1-3H3/t6?,7?,8?,9-/m1/s1.
What are the key properties of (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine?
(1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-fluoro-1,2,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 166689129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).