1,1,1-trifluorohexan-2-amine

C6H12F3N — CID 50998628

IUPAC1,1,1-trifluorohexan-2-amine
SMILESCCCCC(N)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-2-3-4-5(10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyXRRYXZXWFBPGEJ-UHFFFAOYSA-N
MW155.16 g/mol
LogP2.07
Rot. Bonds3

About 1,1,1-trifluorohexan-2-amine

1,1,1-trifluorohexan-2-amine (PubChem CID 50998628) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 1,1,1-trifluorohexan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluorohexan-2-amine
PubChem CID50998628
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name1,1,1-trifluorohexan-2-amine
SMILESCCCCC(N)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-2-3-4-5(10)6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyXRRYXZXWFBPGEJ-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1,1,1-trifluorohexan-2-amine;hydrochloride
CID 171203125
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
2,2-difluoroheptan-3-amine
CID 130605107
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
1,2-diaminohexane-1,1-diol
CID 19776231
4,4-dimethylnonan-5-amine
CID 87513740
(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride
CID 171203123
3-amino-1,1,1-trifluoroheptan-2-ol
CID 22121539
(2R)-1,1,1,5,5,5-hexafluoropentan-2-amine
CID 171203128
(3S)-2,2-dimethyloctan-3-amine
CID 93237613
1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-amine
CID 103311798
(2S)-1,1,1,5,5,5-hexafluoropentan-2-amine;hydrochloride
CID 171222694

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorohexan-2-amine?
The IUPAC name of 1,1,1-trifluorohexan-2-amine (CID 50998628) is 1,1,1-trifluorohexan-2-amine.
What is the SMILES notation for 1,1,1-trifluorohexan-2-amine?
The canonical SMILES for 1,1,1-trifluorohexan-2-amine is CCCCC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorohexan-2-amine?
The InChIKey is XRRYXZXWFBPGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-2-3-4-5(10)6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 1,1,1-trifluorohexan-2-amine?
1,1,1-trifluorohexan-2-amine has a molecular weight of 155.16 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorohexan-2-amine is sourced from PubChem (CID 50998628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).