N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine

C9H18F3N — CID 20872958

IUPACN-butyl-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCCCCN(C)CCCC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-3-4-7-13(2)8-5-6-9(10,11)12/h3-8H2,1-2H3
InChIKeyOIFUIUVNMZFVKX-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.06
Rot. Bonds6

About N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine

N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine (PubChem CID 20872958) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-butyl-4,4,4-trifluoro-N-methylbutan-1-amine
PubChem CID20872958
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC NameN-butyl-4,4,4-trifluoro-N-methylbutan-1-amine
SMILESCCCCN(C)CCCC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-3-4-7-13(2)8-5-6-9(10,11)12/h3-8H2,1-2H3
InChIKeyOIFUIUVNMZFVKX-UHFFFAOYSA-N
XLogP3.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine?
The IUPAC name of N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine (CID 20872958) is N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine.
What is the SMILES notation for N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine?
The canonical SMILES for N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine is CCCCN(C)CCCC(F)(F)F.
What is the InChIKey of N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine?
The InChIKey is OIFUIUVNMZFVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-3-4-7-13(2)8-5-6-9(10,11)12/h3-8H2,1-2H3.
What are the key properties of N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine?
N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine is sourced from PubChem (CID 20872958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).