1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C8H14F3NO — CID 103215426

IUPAC1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)CC1CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-13-4-7(12)3-6-1-2-6/h6-7H,1-5,12H2
InChIKeyOGBVSDMDVMJBNQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.69
Rot. Bonds5

About 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215426) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215426
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)CC1CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-13-4-7(12)3-6-1-2-6/h6-7H,1-5,12H2
InChIKeyOGBVSDMDVMJBNQ-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215426) is 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is NC(COCC(F)(F)F)CC1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is OGBVSDMDVMJBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)5-13-4-7(12)3-6-1-2-6/h6-7H,1-5,12H2.
What are the key properties of 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 197.20 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).