2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran

C14H14ClFO — CID 106879675

IUPAC2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Cl)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H14ClFO/c1-8-4-5-17-14(8)13(15)12-9(2)6-11(16)7-10(12)3/h4-7,13H,1-3H3
InChIKeyLQJZFZXBJDYHGT-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.67
Rot. Bonds2

About 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran

2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran (PubChem CID 106879675) has the molecular formula C14H14ClFO and a molecular weight of 252.72 g/mol. Its IUPAC name is 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran.

Molecular Properties

Compound Name2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran
PubChem CID106879675
Molecular FormulaC14H14ClFO
Molecular Weight252.72 g/mol
Exact Mass252.07
IUPAC Name2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Cl)c1c(C)cc(F)cc1C
InChIInChI=1S/C14H14ClFO/c1-8-4-5-17-14(8)13(15)12-9(2)6-11(16)7-10(12)3/h4-7,13H,1-3H3
InChIKeyLQJZFZXBJDYHGT-UHFFFAOYSA-N
XLogP4.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-3-methylfuran
CID 63429398
2-[chloro-(2,6-difluoro-4-methoxyphenyl)methyl]-3-methylfuran
CID 61082313
2-[chloro-(2,4-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879841
2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran
CID 63436451
2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran
CID 61086619
2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-5-methylthiophene
CID 106879791
2-(difluoromethyl)-3-methylfuran
CID 99986071
(2,4-difluorophenyl)-(3-methylfuran-2-yl)methanol
CID 61087172
2-[chloro-(2,3-dimethylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879809
2-[chloro-[4-(trifluoromethyl)phenyl]methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879788
(3-methylfuran-2-yl)-(2,3,5,6-tetramethylphenyl)methanol
CID 61089048
2-(3,5-difluorophenyl)-N-methyl-1-(3-methylfuran-2-yl)ethanamine
CID 105406977

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran?
The IUPAC name of 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran (CID 106879675) is 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran.
What is the SMILES notation for 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran?
The canonical SMILES for 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran is Cc1ccoc1C(Cl)c1c(C)cc(F)cc1C.
What is the InChIKey of 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran?
The InChIKey is LQJZFZXBJDYHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFO/c1-8-4-5-17-14(8)13(15)12-9(2)6-11(16)7-10(12)3/h4-7,13H,1-3H3.
What are the key properties of 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran?
2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran has a molecular weight of 252.72 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-fluoro-2,6-dimethylphenyl)methyl]-3-methylfuran is sourced from PubChem (CID 106879675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).