(2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene

C17H12ClFO — CID 70902384

IUPAC(2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene
SMILESC/C=C1/C=C(c2ccc(F)cc2)c2ccc(Cl)cc2O1
InChIInChI=1S/C17H12ClFO/c1-2-14-10-16(11-3-6-13(19)7-4-11)15-8-5-12(18)9-17(15)20-14/h2-10H,1H3/b14-2-
InChIKeyYZPDQMMFQOAOCC-VVHNFQOZSA-N
MW286.73 g/mol
LogP5.21
Rot. Bonds1

About (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene

(2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene (PubChem CID 70902384) has the molecular formula C17H12ClFO and a molecular weight of 286.73 g/mol. Its IUPAC name is (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene.

Molecular Properties

Compound Name(2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene
PubChem CID70902384
Molecular FormulaC17H12ClFO
Molecular Weight286.73 g/mol
Exact Mass286.06
IUPAC Name(2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene
SMILESC/C=C1/C=C(c2ccc(F)cc2)c2ccc(Cl)cc2O1
InChIInChI=1S/C17H12ClFO/c1-2-14-10-16(11-3-6-13(19)7-4-11)15-8-5-12(18)9-17(15)20-14/h2-10H,1H3/b14-2-
InChIKeyYZPDQMMFQOAOCC-VVHNFQOZSA-N
XLogP5.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.73
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene?
The IUPAC name of (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene (CID 70902384) is (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene.
What is the SMILES notation for (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene?
The canonical SMILES for (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene is C/C=C1/C=C(c2ccc(F)cc2)c2ccc(Cl)cc2O1.
What is the InChIKey of (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene?
The InChIKey is YZPDQMMFQOAOCC-VVHNFQOZSA-N. The full InChI is InChI=1S/C17H12ClFO/c1-2-14-10-16(11-3-6-13(19)7-4-11)15-8-5-12(18)9-17(15)20-14/h2-10H,1H3/b14-2-.
What are the key properties of (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene?
(2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene has a molecular weight of 286.73 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-7-chloro-2-ethylidene-4-(4-fluorophenyl)chromene is sourced from PubChem (CID 70902384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).