5-chloro-2,2-difluoro-3-methylidene-1-benzofuran

C9H5ClF2O — CID 134954839

IUPAC5-chloro-2,2-difluoro-3-methylidene-1-benzofuran
SMILESC=C1c2cc(Cl)ccc2OC1(F)F
InChIInChI=1S/C9H5ClF2O/c1-5-7-4-6(10)2-3-8(7)13-9(5,11)12/h2-4H,1H2
InChIKeyZCJRIZKQKDYKGO-UHFFFAOYSA-N
MW202.59 g/mol
LogP3.34
Rot. Bonds

About 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran

5-chloro-2,2-difluoro-3-methylidene-1-benzofuran (PubChem CID 134954839) has the molecular formula C9H5ClF2O and a molecular weight of 202.59 g/mol. Its IUPAC name is 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2,2-difluoro-3-methylidene-1-benzofuran
PubChem CID134954839
Molecular FormulaC9H5ClF2O
Molecular Weight202.59 g/mol
Exact Mass202.00
IUPAC Name5-chloro-2,2-difluoro-3-methylidene-1-benzofuran
SMILESC=C1c2cc(Cl)ccc2OC1(F)F
InChIInChI=1S/C9H5ClF2O/c1-5-7-4-6(10)2-3-8(7)13-9(5,11)12/h2-4H,1H2
InChIKeyZCJRIZKQKDYKGO-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran?
The IUPAC name of 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran (CID 134954839) is 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran.
What is the SMILES notation for 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran?
The canonical SMILES for 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran is C=C1c2cc(Cl)ccc2OC1(F)F.
What is the InChIKey of 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran?
The InChIKey is ZCJRIZKQKDYKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2O/c1-5-7-4-6(10)2-3-8(7)13-9(5,11)12/h2-4H,1H2.
What are the key properties of 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran?
5-chloro-2,2-difluoro-3-methylidene-1-benzofuran has a molecular weight of 202.59 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,2-difluoro-3-methylidene-1-benzofuran is sourced from PubChem (CID 134954839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).