2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

C8H16F3N — CID 43200466

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCCCC(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-3-4-7(2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyAVVJKDTYPMVATA-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.57
Rot. Bonds5

About 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine

2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (PubChem CID 43200466) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
PubChem CID43200466
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
SMILESCCCC(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-3-4-7(2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyAVVJKDTYPMVATA-UHFFFAOYSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine (CID 43200466) is 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is CCCC(C)CNCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
The InChIKey is AVVJKDTYPMVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-3-4-7(2)5-12-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine?
2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine has a molecular weight of 183.22 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine is sourced from PubChem (CID 43200466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).