(2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone

C14H13FO2 — CID 106883290

IUPAC(2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C)o2)c(F)c1
InChIInChI=1S/C14H13FO2/c1-8-6-9(2)13(11(15)7-8)14(16)12-5-4-10(3)17-12/h4-7H,1-3H3
InChIKeyFFFBGSOBXUKCNI-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.57
Rot. Bonds2

About (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone

(2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone (PubChem CID 106883290) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone
PubChem CID106883290
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name(2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C)o2)c(F)c1
InChIInChI=1S/C14H13FO2/c1-8-6-9(2)13(11(15)7-8)14(16)12-5-4-10(3)17-12/h4-7H,1-3H3
InChIKeyFFFBGSOBXUKCNI-UHFFFAOYSA-N
XLogP3.57
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883367
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
(2,4-dimethylphenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883185
(2,4-dibromophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 107944889
(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 81323383
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
3,5-dimethyl-2-[(5-methylfuran-2-carbonyl)amino]benzoic acid
CID 63112090
(2,3-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883356
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
(4-amino-3,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883146
2,6-difluoro-4-methylbenzoate
CID 86307703
2-(3,4-dichlorophenyl)-1-(2-fluoro-4,6-dimethylphenyl)ethanone
CID 106880750

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone (CID 106883290) is (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone is Cc1cc(C)c(C(=O)c2ccc(C)o2)c(F)c1.
What is the InChIKey of (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone?
The InChIKey is FFFBGSOBXUKCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-8-6-9(2)13(11(15)7-8)14(16)12-5-4-10(3)17-12/h4-7H,1-3H3.
What are the key properties of (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone?
(2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone has a molecular weight of 232.25 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4,6-dimethylphenyl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 106883290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).