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

C9H12F3N — CID 178058027

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

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

(E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine (PubChem CID 178058027) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine
PubChem CID178058027
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine
SMILESC/N=C(/C=C(\C)C1CC1)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-6(7-3-4-7)5-8(13-2)9(10,11)12/h5,7H,3-4H2,1-2H3/b6-5+,13-8-
InChIKeyZXMDJVYVXRIIMP-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

6-(Difluoromethyl)-3-ethyl-5-methyl-2,3-dihydropyridine
CID 91353665
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
N,2-dimethyl-6-(trifluoromethyl)cyclohepta-2,6-dien-1-imine
CID 123513819
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(3Z)-1,1,1-trifluoro-N,6-dimethylhepta-3,6-dien-2-imine
CID 142448631
(Z)-1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 147963737
(E)-N-methyl-4-(trifluoromethyl)hept-4-en-3-imine
CID 153356073
(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
butane;ethane;(Z)-N-methyl-4-(2,2,2-trifluoroethyl)hex-4-en-3-imine
CID 178040100

Frequently Asked Questions

What is the IUPAC name of (E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
The IUPAC name of (E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine (CID 178058027) is (E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine.
What is the SMILES notation for (E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
The canonical SMILES for (E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine is C/N=C(/C=C(\C)C1CC1)C(F)(F)F.
What is the InChIKey of (E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
The InChIKey is ZXMDJVYVXRIIMP-XVHQSRQOSA-N. The full InChI is InChI=1S/C9H12F3N/c1-6(7-3-4-7)5-8(13-2)9(10,11)12/h5,7H,3-4H2,1-2H3/b6-5+,13-8-.
What are the key properties of (E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine?
(E)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-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)-4-cyclopropyl-1,1,1-trifluoro-N-methylpent-3-en-2-imine is sourced from PubChem (CID 178058027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).