N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine

C7H12F3N — CID 3838271

IUPACN-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine
SMILESCC(NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H12F3N/c1-5(6-2-3-6)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyOHRMZVJKNLPGPX-UHFFFAOYSA-N
MW167.17 g/mol
LogP1.94
Rot. Bonds3

About N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine

N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine (PubChem CID 3838271) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine
PubChem CID3838271
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC NameN-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine
SMILESCC(NCC(F)(F)F)C1CC1
InChIInChI=1S/C7H12F3N/c1-5(6-2-3-6)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3
InChIKeyOHRMZVJKNLPGPX-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine (CID 3838271) is N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine is CC(NCC(F)(F)F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine?
The InChIKey is OHRMZVJKNLPGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N/c1-5(6-2-3-6)11-4-7(8,9)10/h5-6,11H,2-4H2,1H3.
What are the key properties of N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine?
N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine has a molecular weight of 167.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 3838271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).