5,5,5-trifluoro-4-methylpentan-2-amine

C6H12F3N — CID 55254968

IUPAC5,5,5-trifluoro-4-methylpentan-2-amine
SMILESCC(N)CC(C)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-4(3-5(2)10)6(7,8)9/h4-5H,3,10H2,1-2H3
InChIKeyGDHXRQSDQMINEY-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.92
Rot. Bonds2

About 5,5,5-trifluoro-4-methylpentan-2-amine

5,5,5-trifluoro-4-methylpentan-2-amine (PubChem CID 55254968) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-methylpentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-4-methylpentan-2-amine
PubChem CID55254968
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name5,5,5-trifluoro-4-methylpentan-2-amine
SMILESCC(N)CC(C)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-4(3-5(2)10)6(7,8)9/h4-5H,3,10H2,1-2H3
InChIKeyGDHXRQSDQMINEY-UHFFFAOYSA-N
XLogP1.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dimethylbutylamine
CID 7908
(2R)-4-methylpentan-2-amine
CID 642324
(2S)-4-methylpentan-2-amine
CID 6994058
DL-2-Amino-3-methyl-1,1,1-trifluorobutane
CID 44717389
Dl-2-Amino-1,1,1-Trifluoro-3-Methylbutane Hydrochloride
CID 46942220
1-Cyclopropyl-3,3,3-trifluoropropan-1-amine hydrochloride
CID 86812274
1-(2,2-Difluorocyclopropyl)ethan-1-amine hydrochloride
CID 121553432
(2R)-1,1,1-trifluoro-4-methylpentan-2-amine hydrochloride
CID 135355035
rac-(1R,2R)-2-(1,1-difluoroethyl)cyclopropan-1-amine hydrochloride
CID 138987804
(2R)-4,4,4-trifluoro-2-methylbutan-1-amine
CID 10290842
4,4,4-Trifluoro-3-methylbutan-1-amine
CID 10464414
3-(Trifluoromethyl)cyclobutanamine
CID 50989715

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-methylpentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-4-methylpentan-2-amine (CID 55254968) is 5,5,5-trifluoro-4-methylpentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-4-methylpentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-4-methylpentan-2-amine is CC(N)CC(C)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-methylpentan-2-amine?
The InChIKey is GDHXRQSDQMINEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-4(3-5(2)10)6(7,8)9/h4-5H,3,10H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-4-methylpentan-2-amine?
5,5,5-trifluoro-4-methylpentan-2-amine has a molecular weight of 155.16 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-methylpentan-2-amine is sourced from PubChem (CID 55254968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).