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

C8H14F3N — CID 83154405

IUPAC2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3N/c1-6(7-2-3-7)4-12-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyAPNAPIMOKKDKMU-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.18
Rot. Bonds4

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

2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 83154405) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID83154405
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3N/c1-6(7-2-3-7)4-12-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyAPNAPIMOKKDKMU-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 83154405) is 2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is APNAPIMOKKDKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(7-2-3-7)4-12-5-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of 2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 181.20 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 83154405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).