2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene

C15H12ClF3O2 — CID 61086035

IUPAC2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12ClF3O2/c1-20-13-7-4-10(17)8-12(13)14(16)9-2-5-11(6-3-9)21-15(18)19/h2-8,14-15H,1H3
InChIKeyYAEFAWLRWSPZBI-UHFFFAOYSA-N
MW316.71 g/mol
LogP4.76
Rot. Bonds5

About 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene

2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene (PubChem CID 61086035) has the molecular formula C15H12ClF3O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene
PubChem CID61086035
Molecular FormulaC15H12ClF3O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Cl)c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H12ClF3O2/c1-20-13-7-4-10(17)8-12(13)14(16)9-2-5-11(6-3-9)21-15(18)19/h2-8,14-15H,1H3
InChIKeyYAEFAWLRWSPZBI-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(4-fluorophenyl)methyl]-1,4-dimethoxybenzene
CID 61085947
1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 114020376
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
2-(1-chloro-2,2-difluoroethyl)-4-fluoro-1-methoxybenzene
CID 103514435
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
CID 63429406
2-chloro-1-[chloro-(4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63429186
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
2-[chloro(phenyl)methyl]-1,4-dimethoxybenzene
CID 61083516
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
1,3-dichloro-2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 63433354
(2-chloro-5-fluorophenyl)-[4-(difluoromethoxy)phenyl]methanamine
CID 105396878

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene (CID 61086035) is 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1C(Cl)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene?
The InChIKey is YAEFAWLRWSPZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O2/c1-20-13-7-4-10(17)8-12(13)14(16)9-2-5-11(6-3-9)21-15(18)19/h2-8,14-15H,1H3.
What are the key properties of 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene?
2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene has a molecular weight of 316.71 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 61086035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).