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

C10H18F3NO — CID 103215425

IUPAC1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)CC1CC1
InChIInChI=1S/C10H18F3NO/c1-2-14-9(5-8-3-4-8)6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyQTSHKWHJVBYREH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds7

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

1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215425) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215425
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)F)CC1CC1
InChIInChI=1S/C10H18F3NO/c1-2-14-9(5-8-3-4-8)6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyQTSHKWHJVBYREH-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215425) is 1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is CCNC(COCC(F)(F)F)CC1CC1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is QTSHKWHJVBYREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-14-9(5-8-3-4-8)6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).