(3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine

C8H14F3N — CID 163570840

IUPAC(3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCC(N)C[C@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-5-2-3-6(12)4-7(5)8(9,10)11/h5-7H,2-4,12H2,1H3/t5?,6?,7-/m1/s1
InChIKeyFZEYDNZQJXFKMW-KPGICGJXSA-N
MW181.20 g/mol
LogP2.31
Rot. Bonds

About (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine

(3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 163570840) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name(3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID163570840
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name(3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCC1CCC(N)C[C@H]1C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-5-2-3-6(12)4-7(5)8(9,10)11/h5-7H,2-4,12H2,1H3/t5?,6?,7-/m1/s1
InChIKeyFZEYDNZQJXFKMW-KPGICGJXSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine (CID 163570840) is (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine is CC1CCC(N)C[C@H]1C(F)(F)F.
What is the InChIKey of (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FZEYDNZQJXFKMW-KPGICGJXSA-N. The full InChI is InChI=1S/C8H14F3N/c1-5-2-3-6(12)4-7(5)8(9,10)11/h5-7H,2-4,12H2,1H3/t5?,6?,7-/m1/s1.
What are the key properties of (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine?
(3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 163570840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).