(E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine

C9H12F3N — CID 177146408

IUPAC(E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine
SMILESC/N=C(/C=C(\C)C(F)(F)F)C1CC1
InChIInChI=1S/C9H12F3N/c1-6(9(10,11)12)5-8(13-2)7-3-4-7/h5,7H,3-4H2,1-2H3/b6-5+,13-8-
InChIKeyNBPADJGHQXOEAK-XVHQSRQOSA-N
MW191.20 g/mol
LogP2.98
Rot. Bonds2

About (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine

(E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine (PubChem CID 177146408) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine
PubChem CID177146408
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine
SMILESC/N=C(/C=C(\C)C(F)(F)F)C1CC1
InChIInChI=1S/C9H12F3N/c1-6(9(10,11)12)5-8(13-2)7-3-4-7/h5,7H,3-4H2,1-2H3/b6-5+,13-8-
InChIKeyNBPADJGHQXOEAK-XVHQSRQOSA-N
XLogP2.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

3-Ethyl-5-methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 90820070
6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
N-cyclopropyl-1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanimine
CID 135190391
(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356073
ethane;(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356202
(E)-4-cyclopropyl-1,1,1-trifluoropent-3-en-2-imine
CID 156267880
(4E)-N,2-dimethyl-4-(trifluoromethyl)hepta-4,6-dien-3-imine
CID 156851943
(E)-5-cyclopropyl-2-fluoro-N,2-dimethylhex-4-en-3-imine
CID 166896627
(Z)-1,1,1-trifluoro-N,5-dimethylhept-3-en-2-imine
CID 167146607
(4E)-2-fluoro-N,2,5-trimethylnona-4,8-dien-3-imine
CID 169851903

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine?
The IUPAC name of (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine (CID 177146408) is (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine.
What is the SMILES notation for (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine?
The canonical SMILES for (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine is C/N=C(/C=C(\C)C(F)(F)F)C1CC1.
What is the InChIKey of (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine?
The InChIKey is NBPADJGHQXOEAK-XVHQSRQOSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(9(10,11)12)5-8(13-2)7-3-4-7/h5,7H,3-4H2,1-2H3/b6-5+,13-8-.
What are the key properties of (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine?
(E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine has a molecular weight of 191.20 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopropyl-4,4,4-trifluoro-N,3-dimethylbut-2-en-1-imine is sourced from PubChem (CID 177146408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).