3-(trifluoromethyl)pentan-3-amine

C6H12F3N — CID 11263992

IUPAC3-(trifluoromethyl)pentan-3-amine
SMILESCCC(N)(CC)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-3-5(10,4-2)6(7,8)9/h3-4,10H2,1-2H3
InChIKeyWTHVCMRZYLAHBR-UHFFFAOYSA-N
MW155.16 g/mol
LogP2.07
Rot. Bonds2

About 3-(trifluoromethyl)pentan-3-amine

3-(trifluoromethyl)pentan-3-amine (PubChem CID 11263992) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-(trifluoromethyl)pentan-3-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)pentan-3-amine
PubChem CID11263992
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name3-(trifluoromethyl)pentan-3-amine
SMILESCCC(N)(CC)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-3-5(10,4-2)6(7,8)9/h3-4,10H2,1-2H3
InChIKeyWTHVCMRZYLAHBR-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pentan-3-amine?
The IUPAC name of 3-(trifluoromethyl)pentan-3-amine (CID 11263992) is 3-(trifluoromethyl)pentan-3-amine.
What is the SMILES notation for 3-(trifluoromethyl)pentan-3-amine?
The canonical SMILES for 3-(trifluoromethyl)pentan-3-amine is CCC(N)(CC)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)pentan-3-amine?
The InChIKey is WTHVCMRZYLAHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-3-5(10,4-2)6(7,8)9/h3-4,10H2,1-2H3.
What are the key properties of 3-(trifluoromethyl)pentan-3-amine?
3-(trifluoromethyl)pentan-3-amine has a molecular weight of 155.16 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pentan-3-amine is sourced from PubChem (CID 11263992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).