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

C7H13ClF3N — CID 90019632

IUPACcis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3N.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h5-6H,1-4,11H2;1H/t5-,6+;/m0./s1
InChIKeyRCSIEAABDZVSPX-RIHPBJNCSA-N
MW203.63 g/mol
LogP2.49
Rot. Bonds

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

cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (PubChem CID 90019632) has the molecular formula C7H13ClF3N and a molecular weight of 203.63 g/mol. Its IUPAC name is cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Namecis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
PubChem CID90019632
Molecular FormulaC7H13ClF3N
Molecular Weight203.63 g/mol
Exact Mass203.07
IUPAC Namecis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCl.N[C@@H]1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C7H12F3N.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h5-6H,1-4,11H2;1H/t5-,6+;/m0./s1
InChIKeyRCSIEAABDZVSPX-RIHPBJNCSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.49
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;hydrochloride?
The IUPAC name of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (CID 90019632) is cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride is Cl.N[C@@H]1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is RCSIEAABDZVSPX-RIHPBJNCSA-N. The full InChI is InChI=1S/C7H12F3N.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h5-6H,1-4,11H2;1H/t5-,6+;/m0./s1.
What are the key properties of cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
cis-(1R,3S)-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 2.49, 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;hydrochloride is sourced from PubChem (CID 90019632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).