1,1,1-trifluoro-3-methylhexan-3-amine

C7H14F3N — CID 131227924

IUPAC1,1,1-trifluoro-3-methylhexan-3-amine
SMILESCCCC(C)(N)CC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-3-4-6(2,11)5-7(8,9)10/h3-5,11H2,1-2H3
InChIKeySMWSRVAPJGPRJV-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.46
Rot. Bonds3

About 1,1,1-trifluoro-3-methylhexan-3-amine

1,1,1-trifluoro-3-methylhexan-3-amine (PubChem CID 131227924) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methylhexan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methylhexan-3-amine
PubChem CID131227924
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC Name1,1,1-trifluoro-3-methylhexan-3-amine
SMILESCCCC(C)(N)CC(F)(F)F
InChIInChI=1S/C7H14F3N/c1-3-4-6(2,11)5-7(8,9)10/h3-5,11H2,1-2H3
InChIKeySMWSRVAPJGPRJV-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-propylpentane-1,1,1,2-tetramine
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azane;1,1,1-trifluorobutane;hydrochloride
CID 135354916
2-fluoro-2-methylpentan-1-amine
CID 84716027
2,4-dimethylhept-1-en-4-amine
CID 152808962
4,11-dimethyl-11-propyltetradecan-4-amine
CID 155476755
CID 89340269
CID 89340269
bis(2,2-dimethylpentane);methane
CID 159859974
1,3-difluoro-2-methylpropan-2-amine
CID 10964647
1,1,1-trifluoro-3,3-dimethylpentane
CID 21014884
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
2-iodopentan-2-amine
CID 144517487

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-methylhexan-3-amine?
The IUPAC name of 1,1,1-trifluoro-3-methylhexan-3-amine (CID 131227924) is 1,1,1-trifluoro-3-methylhexan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-methylhexan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-3-methylhexan-3-amine is CCCC(C)(N)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methylhexan-3-amine?
The InChIKey is SMWSRVAPJGPRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-3-4-6(2,11)5-7(8,9)10/h3-5,11H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-methylhexan-3-amine?
1,1,1-trifluoro-3-methylhexan-3-amine has a molecular weight of 169.19 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-methylhexan-3-amine is sourced from PubChem (CID 131227924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).