3-methyl-N-(trifluoromethyl)butan-1-amine

C6H12F3N — CID 91339211

IUPAC3-methyl-N-(trifluoromethyl)butan-1-amine
SMILESCC(C)CCNC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-5(2)3-4-10-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyGMNWDKGHKVDNEI-UHFFFAOYSA-N
MW155.16 g/mol
LogP2.14
Rot. Bonds3

About 3-methyl-N-(trifluoromethyl)butan-1-amine

3-methyl-N-(trifluoromethyl)butan-1-amine (PubChem CID 91339211) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-methyl-N-(trifluoromethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(trifluoromethyl)butan-1-amine
PubChem CID91339211
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name3-methyl-N-(trifluoromethyl)butan-1-amine
SMILESCC(C)CCNC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-5(2)3-4-10-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyGMNWDKGHKVDNEI-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(trifluoromethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(trifluoromethyl)butan-1-amine (CID 91339211) is 3-methyl-N-(trifluoromethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(trifluoromethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(trifluoromethyl)butan-1-amine is CC(C)CCNC(F)(F)F.
What is the InChIKey of 3-methyl-N-(trifluoromethyl)butan-1-amine?
The InChIKey is GMNWDKGHKVDNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-5(2)3-4-10-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 3-methyl-N-(trifluoromethyl)butan-1-amine?
3-methyl-N-(trifluoromethyl)butan-1-amine has a molecular weight of 155.16 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(trifluoromethyl)butan-1-amine is sourced from PubChem (CID 91339211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).