1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride

C8H15ClF3N — CID 66570545

IUPAC1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h6-7H,1-5,12H2;1H
InChIKeyCERGJGMILXAJNN-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.88
Rot. Bonds1

About 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride

1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride (PubChem CID 66570545) has the molecular formula C8H15ClF3N and a molecular weight of 217.66 g/mol. Its IUPAC name is 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride
PubChem CID66570545
Molecular FormulaC8H15ClF3N
Molecular Weight217.66 g/mol
Exact Mass217.08
IUPAC Name1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride
SMILESCl.NC(C1CCCCC1)C(F)(F)F
InChIInChI=1S/C8H14F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h6-7H,1-5,12H2;1H
InChIKeyCERGJGMILXAJNN-UHFFFAOYSA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride?
The IUPAC name of 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride (CID 66570545) is 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride?
The canonical SMILES for 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride is Cl.NC(C1CCCCC1)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride?
The InChIKey is CERGJGMILXAJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.ClH/c9-8(10,11)7(12)6-4-2-1-3-5-6;/h6-7H,1-5,12H2;1H.
What are the key properties of 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride?
1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2,2-trifluoroethanamine;hydrochloride is sourced from PubChem (CID 66570545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).