cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine

C7H12F3N — CID 40799875

IUPACcis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6H,1-4,11H2/t5-,6+/m0/s1
InChIKeyFFCACAFKNHPVNI-NTSWFWBYSA-N
MW167.17 g/mol
LogP2.07
Rot. Bonds

About cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine

cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 40799875) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID40799875
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Namecis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6H,1-4,11H2/t5-,6+/m0/s1
InChIKeyFFCACAFKNHPVNI-NTSWFWBYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine (CID 40799875) is cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine is N[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is FFCACAFKNHPVNI-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H12F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h5-6H,1-4,11H2/t5-,6+/m0/s1.
What are the key properties of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine?
cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 167.17 g/mol, XLogP of 2.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 40799875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).