1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine

C9H12F3N — CID 162596786

IUPAC1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/C(=N/CC)C1CC1)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-13-8(7-4-5-7)6(2)9(10,11)12/h7H,2-5H2,1H3/b13-8-
InChIKeyWXTSDSCPHDYQCV-JYRVWZFOSA-N
MW191.20 g/mol
LogP2.98
Rot. Bonds3

About 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine

1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine (PubChem CID 162596786) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
PubChem CID162596786
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/C(=N/CC)C1CC1)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-3-13-8(7-4-5-7)6(2)9(10,11)12/h7H,2-5H2,1H3/b13-8-
InChIKeyWXTSDSCPHDYQCV-JYRVWZFOSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine?
The IUPAC name of 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine (CID 162596786) is 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine?
The canonical SMILES for 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine is C=C(/C(=N/CC)C1CC1)C(F)(F)F.
What is the InChIKey of 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine?
The InChIKey is WXTSDSCPHDYQCV-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H12F3N/c1-3-13-8(7-4-5-7)6(2)9(10,11)12/h7H,2-5H2,1H3/b13-8-.
What are the key properties of 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine?
1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine has a molecular weight of 191.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine is sourced from PubChem (CID 162596786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).