2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan

C15H16ClFO — CID 122487189

IUPAC2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan
SMILESCC(C)(C)Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H16ClFO/c1-15(2,3)9-11-5-7-14(18-11)10-4-6-13(17)12(16)8-10/h4-8H,9H2,1-3H3
InChIKeyKLKQSAMNHGXVFU-UHFFFAOYSA-N
MW266.74 g/mol
LogP5.33
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan

2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan (PubChem CID 122487189) has the molecular formula C15H16ClFO and a molecular weight of 266.74 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan
PubChem CID122487189
Molecular FormulaC15H16ClFO
Molecular Weight266.74 g/mol
Exact Mass266.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan
SMILESCC(C)(C)Cc1ccc(-c2ccc(F)c(Cl)c2)o1
InChIInChI=1S/C15H16ClFO/c1-15(2,3)9-11-5-7-14(18-11)10-4-6-13(17)12(16)8-10/h4-8H,9H2,1-3H3
InChIKeyKLKQSAMNHGXVFU-UHFFFAOYSA-N
XLogP5.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.74
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-Chlorophenyl)furfural
CID 609822
3-(5-(4-Chlorophenyl)furan-2-yl)acrylic acid
CID 677287
(2E)-3-(3-Chlorophenyl)-1-(5-methylfuran-2-yl)prop-2-en-1-one
CID 18093825
(2E)-1-(3-Chlorophenyl)-3-(5-methylfuran-2-yl)prop-2-en-1-one
CID 71818857
(E)-3-(5-chlorofuran-2-yl)-1-(3-chlorophenyl)prop-2-en-1-one
CID 71818858
1-[4-[(3-Chlorophenyl)methoxy]-2-fluorophenyl]ethanone
CID 91863375
5-[5-(3-Chlorophenyl)furan-2-yl]cyclohexane-1,3-dione
CID 52939558
3-(5-(4-Chlorophenyl)-2-furyl)-1-(4-fluorophenyl)-2-propen-1-one
CID 5727275
5-(3-Chloro-4-Fluoro-Phenyl)-Furan-2-Carbaldehyde
CID 759212
3-(5-(2,5-Dichlorophenyl)-2-furyl)-1-phenyl-2-propen-1-one
CID 5883607
3-[5-(2-Chlorophenyl)-2-furyl]acrylic acid
CID 726349
(2E)-1-(3-Chlorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 46910728

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan (CID 122487189) is 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan is CC(C)(C)Cc1ccc(-c2ccc(F)c(Cl)c2)o1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan?
The InChIKey is KLKQSAMNHGXVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFO/c1-15(2,3)9-11-5-7-14(18-11)10-4-6-13(17)12(16)8-10/h4-8H,9H2,1-3H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan?
2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan has a molecular weight of 266.74 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan is sourced from PubChem (CID 122487189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).