N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine

C9H18F3N — CID 90142562

IUPACN,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCN(CCC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-8(2,3)5-6-13(4)7-9(10,11)12/h5-7H2,1-4H3
InChIKeyIEOAZIUYRKFGMR-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.92
Rot. Bonds3

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

N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 90142562) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID90142562
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC NameN,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCN(CCC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-8(2,3)5-6-13(4)7-9(10,11)12/h5-7H2,1-4H3
InChIKeyIEOAZIUYRKFGMR-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 90142562) is N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine is CN(CCC(C)(C)C)CC(F)(F)F.
What is the InChIKey of N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is IEOAZIUYRKFGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-8(2,3)5-6-13(4)7-9(10,11)12/h5-7H2,1-4H3.
What are the key properties of N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 90142562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).