(Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine

C14H18F3N — CID 162565662

IUPAC(Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine
SMILESC=C(C)/N=C/C=C(/C(C)=C1C(C)C1C)C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-8(2)18-7-6-12(14(15,16)17)11(5)13-9(3)10(13)4/h6-7,9-10H,1H2,2-5H3/b12-6-,13-11?,18-7+
InChIKeyPXDLCLULSDQLPP-FFJQIGOHSA-N
MW257.30 g/mol
LogP4.68
Rot. Bonds3

About (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine

(Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine (PubChem CID 162565662) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine
PubChem CID162565662
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name(Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine
SMILESC=C(C)/N=C/C=C(/C(C)=C1C(C)C1C)C(F)(F)F
InChIInChI=1S/C14H18F3N/c1-8(2)18-7-6-12(14(15,16)17)11(5)13-9(3)10(13)4/h6-7,9-10H,1H2,2-5H3/b12-6-,13-11?,18-7+
InChIKeyPXDLCLULSDQLPP-FFJQIGOHSA-N
XLogP4.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.68
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 (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine?
The IUPAC name of (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine (CID 162565662) is (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine.
What is the SMILES notation for (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine?
The canonical SMILES for (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine is C=C(C)/N=C/C=C(/C(C)=C1C(C)C1C)C(F)(F)F.
What is the InChIKey of (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine?
The InChIKey is PXDLCLULSDQLPP-FFJQIGOHSA-N. The full InChI is InChI=1S/C14H18F3N/c1-8(2)18-7-6-12(14(15,16)17)11(5)13-9(3)10(13)4/h6-7,9-10H,1H2,2-5H3/b12-6-,13-11?,18-7+.
What are the key properties of (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine?
(Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine has a molecular weight of 257.30 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2,3-dimethylcyclopropylidene)-N-prop-1-en-2-yl-3-(trifluoromethyl)pent-2-en-1-imine is sourced from PubChem (CID 162565662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).