3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine

C5H8F5N — CID 115014784

IUPAC3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)F)C(F)(F)F
InChIInChI=1S/C5H8F5N/c6-4(7)3(1-2-11)5(8,9)10/h3-4H,1-2,11H2
InChIKeyUXFZXOBNALZVQU-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.78
Rot. Bonds3

About 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine

3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 115014784) has the molecular formula C5H8F5N and a molecular weight of 177.12 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine
PubChem CID115014784
Molecular FormulaC5H8F5N
Molecular Weight177.12 g/mol
Exact Mass177.06
IUPAC Name3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)F)C(F)(F)F
InChIInChI=1S/C5H8F5N/c6-4(7)3(1-2-11)5(8,9)10/h3-4H,1-2,11H2
InChIKeyUXFZXOBNALZVQU-UHFFFAOYSA-N
XLogP1.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-amino-1,1,1-trifluorobutan-2-ol
CID 51886728
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
3-fluoropentane-1,5-diamine
CID 115011093
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506
4,4,4-trifluoro-3-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 43753340
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
(2R)-1,1,1,3,3-pentafluoropropan-2-amine
CID 130625180
21-(trifluoromethyl)hentetracontane-1,41-diamine
CID 150441397
3-ethylsulfonyl-4,4,4-trifluorobutan-1-amine
CID 64696760
3-ethyl-4-fluoro-4-methylpentan-1-amine
CID 105429104
(5R)-6,6,6-trifluorohexane-1,5-diamine;hydrochloride
CID 171203123
3,3,4,4-tetrafluorobutan-1-amine;hydrochloride
CID 138991551

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine (CID 115014784) is 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine is NCCC(C(F)F)C(F)(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is UXFZXOBNALZVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5N/c6-4(7)3(1-2-11)5(8,9)10/h3-4H,1-2,11H2.
What are the key properties of 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine?
3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 177.12 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 115014784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).