[(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride

C7H13ClF3N — CID 178190444

IUPAC[(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1CCC(F)(F)C[C@H]1F
InChIInChI=1S/C7H12F3N.ClH/c8-6-3-7(9,10)2-1-5(6)4-11;/h5-6H,1-4,11H2;1H/t5-,6-;/m1./s1
InChIKeyLUFJNZSVCKXIMH-KGZKBUQUSA-N
MW203.63 g/mol
LogP2.14
Rot. Bonds1

About [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride

[(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride (PubChem CID 178190444) has the molecular formula C7H13ClF3N and a molecular weight of 203.63 g/mol. Its IUPAC name is [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride
PubChem CID178190444
Molecular FormulaC7H13ClF3N
Molecular Weight203.63 g/mol
Exact Mass203.07
IUPAC Name[(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride
SMILESCl.NC[C@H]1CCC(F)(F)C[C@H]1F
InChIInChI=1S/C7H12F3N.ClH/c8-6-3-7(9,10)2-1-5(6)4-11;/h5-6H,1-4,11H2;1H/t5-,6-;/m1./s1
InChIKeyLUFJNZSVCKXIMH-KGZKBUQUSA-N
XLogP2.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride?
The IUPAC name of [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride (CID 178190444) is [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride.
What is the SMILES notation for [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride?
The canonical SMILES for [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride is Cl.NC[C@H]1CCC(F)(F)C[C@H]1F.
What is the InChIKey of [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride?
The InChIKey is LUFJNZSVCKXIMH-KGZKBUQUSA-N. The full InChI is InChI=1S/C7H12F3N.ClH/c8-6-3-7(9,10)2-1-5(6)4-11;/h5-6H,1-4,11H2;1H/t5-,6-;/m1./s1.
What are the key properties of [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride?
[(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2,4,4-trifluorocyclohexyl]methanamine;hydrochloride is sourced from PubChem (CID 178190444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).