4,4,4-trifluoro-N,3-dimethylbutan-1-amine

C6H12F3N — CID 83682052

IUPAC4,4,4-trifluoro-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-5(3-4-10-2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyVFWFHNTUNMEUDG-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.79
Rot. Bonds3

About 4,4,4-trifluoro-N,3-dimethylbutan-1-amine

4,4,4-trifluoro-N,3-dimethylbutan-1-amine (PubChem CID 83682052) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N,3-dimethylbutan-1-amine
PubChem CID83682052
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name4,4,4-trifluoro-N,3-dimethylbutan-1-amine
SMILESCNCCC(C)C(F)(F)F
InChIInChI=1S/C6H12F3N/c1-5(3-4-10-2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyVFWFHNTUNMEUDG-UHFFFAOYSA-N
XLogP1.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,4,4,4-tetrafluoro-N-methylbutan-1-amine
CID 84731464
N-methyl-3-(trifluoromethoxy)butan-1-amine
CID 178126926
N,3,4,4-tetramethylhexan-1-amine
CID 138576801
(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
1,1,1-trifluoro-6-(methylamino)hexan-2-ol
CID 84732703
4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
CID 83918946
4-fluoro-1-(methylamino)pentan-3-ol
CID 174427700
1,1,1,7,7,7-hexafluoro-2-methylheptane
CID 175563823
N,N',2-trimethylbutane-1,4-diamine
CID 118562812

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N,3-dimethylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N,3-dimethylbutan-1-amine (CID 83682052) is 4,4,4-trifluoro-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N,3-dimethylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N,3-dimethylbutan-1-amine is CNCCC(C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N,3-dimethylbutan-1-amine?
The InChIKey is VFWFHNTUNMEUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-5(3-4-10-2)6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N,3-dimethylbutan-1-amine?
4,4,4-trifluoro-N,3-dimethylbutan-1-amine has a molecular weight of 155.16 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 83682052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).