2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene

C14H11ClF2O — CID 61082122

IUPAC2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(C(Cl)c2ccccc2)c(F)c1
InChIInChI=1S/C14H11ClF2O/c1-18-10-7-11(16)13(12(17)8-10)14(15)9-5-3-2-4-6-9/h2-8,14H,1H3
InChIKeyYHZYBSPVBSKXQA-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.30
Rot. Bonds3

About 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene

2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene (PubChem CID 61082122) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene.

Molecular Properties

Compound Name2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene
PubChem CID61082122
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene
SMILESCOc1cc(F)c(C(Cl)c2ccccc2)c(F)c1
InChIInChI=1S/C14H11ClF2O/c1-18-10-7-11(16)13(12(17)8-10)14(15)9-5-3-2-4-6-9/h2-8,14H,1H3
InChIKeyYHZYBSPVBSKXQA-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.30
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-(3-methoxy-4-methylphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63427430
2-(1-chloro-2-methyl-2-phenylpropyl)-1,3-difluoro-5-methoxybenzene
CID 63427388
2-[chloro-(2,6-difluoro-4-methoxyphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82799527
2-[chloro-(2,6-difluoro-4-methoxyphenyl)methyl]-3-methylfuran
CID 61082313
2-[(5-bromo-2-chlorophenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
CID 63427637
2-[(4-bromo-2-methylphenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
CID 63427678
2-[bromo-(3-fluorophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435031
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanamine
CID 54880557
(2-chlorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61100473
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
2,3-dibromo-5-[chloro-(2,6-difluoro-4-methoxyphenyl)methyl]thiophene
CID 80538886
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene?
The IUPAC name of 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene (CID 61082122) is 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene.
What is the SMILES notation for 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene?
The canonical SMILES for 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene is COc1cc(F)c(C(Cl)c2ccccc2)c(F)c1.
What is the InChIKey of 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene?
The InChIKey is YHZYBSPVBSKXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-18-10-7-11(16)13(12(17)8-10)14(15)9-5-3-2-4-6-9/h2-8,14H,1H3.
What are the key properties of 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene?
2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene has a molecular weight of 268.69 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(phenyl)methyl]-1,3-difluoro-5-methoxybenzene is sourced from PubChem (CID 61082122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).