N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine

C11H22F3N — CID 139417828

IUPACN-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCCCCN(CCC(C)C)CC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-4-5-7-15(8-6-10(2)3)9-11(12,13)14/h10H,4-9H2,1-3H3
InChIKeyIXFRTUJJVSPLGO-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.70
Rot. Bonds7

About N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine

N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 139417828) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID139417828
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC NameN-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCCCCN(CCC(C)C)CC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-4-5-7-15(8-6-10(2)3)9-11(12,13)14/h10H,4-9H2,1-3H3
InChIKeyIXFRTUJJVSPLGO-UHFFFAOYSA-N
XLogP3.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 139417828) is N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine is CCCCN(CCC(C)C)CC(F)(F)F.
What is the InChIKey of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is IXFRTUJJVSPLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-4-5-7-15(8-6-10(2)3)9-11(12,13)14/h10H,4-9H2,1-3H3.
What are the key properties of N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 139417828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).