4,4,4-trifluoro-3-methylbutan-1-amine

C5H10F3N — CID 10464414

IUPAC4,4,4-trifluoro-3-methylbutan-1-amine
SMILESCC(CCN)C(F)(F)F
InChIInChI=1S/C5H10F3N/c1-4(2-3-9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyFIUCTSBAEOTXBR-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.53
Rot. Bonds2

About 4,4,4-trifluoro-3-methylbutan-1-amine

4,4,4-trifluoro-3-methylbutan-1-amine (PubChem CID 10464414) has the molecular formula C5H10F3N and a molecular weight of 141.14 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methylbutan-1-amine
PubChem CID10464414
Molecular FormulaC5H10F3N
Molecular Weight141.14 g/mol
Exact Mass141.08
IUPAC Name4,4,4-trifluoro-3-methylbutan-1-amine
SMILESCC(CCN)C(F)(F)F
InChIInChI=1S/C5H10F3N/c1-4(2-3-9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyFIUCTSBAEOTXBR-UHFFFAOYSA-N
XLogP1.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-N,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 143734656
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
4,4,4-trifluoro-N,3-dimethylbutan-1-amine
CID 83682052
(3R)-4,4,4-trifluoro-3-N,3-N-dimethylbutane-1,3-diamine
CID 129365506
1,1,1,7,7,7-hexafluoro-2-methylheptane
CID 175563823
(2S)-4-amino-1,1,1-trifluorobutan-2-ol
CID 51886728
5,5,5-trifluoro-4-methylpentan-2-amine
CID 55254968
1-bromo-1,1,2,2,6,6,6-heptafluoro-5-methylhexane
CID 87921894
1,1,1,13,13,13-hexafluoro-2-methyltridecane
CID 155394639
3-(difluoromethyl)-4,4,4-trifluorobutan-1-amine
CID 115014784
3-bromo-1,1,1-trifluoro-2-methylpropane
CID 71756869
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-methylbutan-1-amine (CID 10464414) is 4,4,4-trifluoro-3-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-methylbutan-1-amine is CC(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methylbutan-1-amine?
The InChIKey is FIUCTSBAEOTXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3N/c1-4(2-3-9)5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-methylbutan-1-amine?
4,4,4-trifluoro-3-methylbutan-1-amine has a molecular weight of 141.14 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methylbutan-1-amine is sourced from PubChem (CID 10464414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).