(2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene

C23H21F3O2 — CID 144733718

IUPAC(2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
SMILESC=C(CC)/C(F)=C1/Oc2c(cc(-c3ccc(OCC)cc3)c(F)c2F)CC1=C
InChIInChI=1S/C23H21F3O2/c1-5-13(3)19(24)22-14(4)11-16-12-18(20(25)21(26)23(16)28-22)15-7-9-17(10-8-15)27-6-2/h7-10,12H,3-6,11H2,1-2H3/b22-19-
InChIKeyKTCBZYBRUJCIGP-QOCHGBHMSA-N
MW386.41 g/mol
LogP6.67
Rot. Bonds5

About (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene

(2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene (PubChem CID 144733718) has the molecular formula C23H21F3O2 and a molecular weight of 386.41 g/mol. Its IUPAC name is (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene.

Molecular Properties

Compound Name(2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
PubChem CID144733718
Molecular FormulaC23H21F3O2
Molecular Weight386.41 g/mol
Exact Mass386.15
IUPAC Name(2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene
SMILESC=C(CC)/C(F)=C1/Oc2c(cc(-c3ccc(OCC)cc3)c(F)c2F)CC1=C
InChIInChI=1S/C23H21F3O2/c1-5-13(3)19(24)22-14(4)11-16-12-18(20(25)21(26)23(16)28-22)15-7-9-17(10-8-15)27-6-2/h7-10,12H,3-6,11H2,1-2H3/b22-19-
InChIKeyKTCBZYBRUJCIGP-QOCHGBHMSA-N
XLogP6.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.41
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
The IUPAC name of (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene (CID 144733718) is (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene.
What is the SMILES notation for (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
The canonical SMILES for (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene is C=C(CC)/C(F)=C1/Oc2c(cc(-c3ccc(OCC)cc3)c(F)c2F)CC1=C.
What is the InChIKey of (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
The InChIKey is KTCBZYBRUJCIGP-QOCHGBHMSA-N. The full InChI is InChI=1S/C23H21F3O2/c1-5-13(3)19(24)22-14(4)11-16-12-18(20(25)21(26)23(16)28-22)15-7-9-17(10-8-15)27-6-2/h7-10,12H,3-6,11H2,1-2H3/b22-19-.
What are the key properties of (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene?
(2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene has a molecular weight of 386.41 g/mol, XLogP of 6.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-6-(4-ethoxyphenyl)-7,8-difluoro-2-(1-fluoro-2-methylidenebutylidene)-3-methylidene-4H-chromene is sourced from PubChem (CID 144733718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).