(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride

C6H13ClF3N — CID 171203125

IUPAC(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
SMILESCCCC[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C6H12F3N.ClH/c1-2-3-4-5(10)6(7,8)9;/h5H,2-4,10H2,1H3;1H/t5-;/m1./s1
InChIKeyAZJOFZMSFWJYRF-NUBCRITNSA-N
MW191.62 g/mol
LogP2.49
Rot. Bonds3

About (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride

(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride (PubChem CID 171203125) has the molecular formula C6H13ClF3N and a molecular weight of 191.62 g/mol. Its IUPAC name is (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
PubChem CID171203125
Molecular FormulaC6H13ClF3N
Molecular Weight191.62 g/mol
Exact Mass191.07
IUPAC Name(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
SMILESCCCC[C@@H](N)C(F)(F)F.Cl
InChIInChI=1S/C6H12F3N.ClH/c1-2-3-4-5(10)6(7,8)9;/h5H,2-4,10H2,1H3;1H/t5-;/m1./s1
InChIKeyAZJOFZMSFWJYRF-NUBCRITNSA-N
XLogP2.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluorohexan-2-amine
CID 50998628
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
2,2-difluoroheptan-3-amine
CID 130605107
(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride
CID 171203123
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride
CID 171222694
4,4-dimethylnonan-5-amine
CID 87513740
1,2-diaminohexane-1,1-diol
CID 19776231
3-amino-1,1,1-trifluoroheptan-2-ol
CID 22121539
(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine
CID 171203128
2-aminotetradecane-1,1,1-triol;hydrochloride
CID 173374049
(3S)-2,2-dimethyloctan-3-amine
CID 93237613

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride?
The IUPAC name of (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride (CID 171203125) is (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride is CCCC[C@@H](N)C(F)(F)F.Cl.
What is the InChIKey of (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride?
The InChIKey is AZJOFZMSFWJYRF-NUBCRITNSA-N. The full InChI is InChI=1S/C6H12F3N.ClH/c1-2-3-4-5(10)6(7,8)9;/h5H,2-4,10H2,1H3;1H/t5-;/m1./s1.
What are the key properties of (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride?
(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluorohexan-2-amine;hydrochloride is sourced from PubChem (CID 171203125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).