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

C6H12F3N — CID 24711079

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)CNCC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-5(2)3-10-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyMCLRCJSTBMJBHR-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.79
Rot. Bonds3

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

2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 24711079) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID24711079
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)CNCC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-5(2)3-10-4-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyMCLRCJSTBMJBHR-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Ethyl isobutyl amine
CID 518733
N-Ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine
CID 54573643
Propyl(2,2,2-trifluoroethyl)amine
CID 12788571
Methyl(3,3,3-trifluoropropyl)amine
CID 43090333
Tert-butyl(2,2,2-trifluoroethyl)amine
CID 20626700
Bis(3,3,3-trifluoropropyl)amine
CID 26941379
Methyl(3,3,3-trifluoropropyl)amine hydrochloride
CID 45792277
(2,2-Dimethylpropyl)(2,2,2-trifluoroethyl)amine
CID 50986356
(3,3-Difluoropropyl)(methyl)amine hydrochloride
CID 137952266
N-Ethyl-2,2-difluoroethan-1-amine
CID 43163694
N-Ethyl-2,2,2-trifluoroethan-1-amine
CID 12769779
Butyl(2,2,2-trifluoroethyl)amine hydrochloride
CID 43810698

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 24711079) is 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)CNCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is MCLRCJSTBMJBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-5(2)3-10-4-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 155.16 g/mol, XLogP of 1.79, 3 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)propan-1-amine is sourced from PubChem (CID 24711079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).