2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride

C14H11ClF2O2 — CID 117048691

IUPAC2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride
SMILESCC(Cc1ccco1)(C(=O)Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C14H11ClF2O2/c1-14(13(15)18,8-12-3-2-4-19-12)9-5-10(16)7-11(17)6-9/h2-7H,8H2,1H3
InChIKeySWSIGBQOBOIVQY-UHFFFAOYSA-N
MW284.69 g/mol
LogP3.82
Rot. Bonds4

About 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride

2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride (PubChem CID 117048691) has the molecular formula C14H11ClF2O2 and a molecular weight of 284.69 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride
PubChem CID117048691
Molecular FormulaC14H11ClF2O2
Molecular Weight284.69 g/mol
Exact Mass284.04
IUPAC Name2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride
SMILESCC(Cc1ccco1)(C(=O)Cl)c1cc(F)cc(F)c1
InChIInChI=1S/C14H11ClF2O2/c1-14(13(15)18,8-12-3-2-4-19-12)9-5-10(16)7-11(17)6-9/h2-7H,8H2,1H3
InChIKeySWSIGBQOBOIVQY-UHFFFAOYSA-N
XLogP3.82
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropan-1-amine
CID 117048648
2-(3,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048514
ethyl 2-(2,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoate
CID 117048556
2-(2,4-dichlorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048521
3-(furan-2-yl)-2,2-dimethylpropanoic acid
CID 62997938
2-bromo-3-(furan-2-yl)-2-methylpropanoic acid
CID 67609490
2-(2-bromo-6-fluorophenyl)-3-(furan-2-yl)-2-methylpropanoic acid
CID 117048527
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
N-(3,5-difluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 53016301
2-(furan-2-ylmethyl)-2-methylbutanoic acid
CID 62998305
3-fluoro-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 90605118
4-fluoro-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 99872683

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride?
The IUPAC name of 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride (CID 117048691) is 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride.
What is the SMILES notation for 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride?
The canonical SMILES for 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride is CC(Cc1ccco1)(C(=O)Cl)c1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride?
The InChIKey is SWSIGBQOBOIVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O2/c1-14(13(15)18,8-12-3-2-4-19-12)9-5-10(16)7-11(17)6-9/h2-7H,8H2,1H3.
What are the key properties of 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride?
2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride has a molecular weight of 284.69 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-3-(furan-2-yl)-2-methylpropanoyl chloride is sourced from PubChem (CID 117048691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).