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

C6H12F3N — CID 23273437

IUPACN-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(C)CC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-3-4-10(2)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyVXZAUADMTIRIBL-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.89
Rot. Bonds3

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

N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 23273437) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID23273437
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC NameN-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(C)CC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-3-4-10(2)5-6(7,8)9/h3-5H2,1-2H3
InChIKeyVXZAUADMTIRIBL-UHFFFAOYSA-N
XLogP1.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 23273437) is N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(C)CC(F)(F)F.
What is the InChIKey of N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is VXZAUADMTIRIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-3-4-10(2)5-6(7,8)9/h3-5H2,1-2H3.
What are the key properties of N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 155.16 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 23273437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).