2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene

C14H9ClF4O — CID 61084727

IUPAC2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(C(Cl)c2ccccc2OC(F)F)c1
InChIInChI=1S/C14H9ClF4O/c15-13(10-7-8(16)5-6-11(10)17)9-3-1-2-4-12(9)20-14(18)19/h1-7,13-14H
InChIKeyIVLJJARNLWKRDG-UHFFFAOYSA-N
MW304.67 g/mol
LogP4.89
Rot. Bonds4

About 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene

2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene (PubChem CID 61084727) has the molecular formula C14H9ClF4O and a molecular weight of 304.67 g/mol. Its IUPAC name is 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
PubChem CID61084727
Molecular FormulaC14H9ClF4O
Molecular Weight304.67 g/mol
Exact Mass304.03
IUPAC Name2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(C(Cl)c2ccccc2OC(F)F)c1
InChIInChI=1S/C14H9ClF4O/c15-13(10-7-8(16)5-6-11(10)17)9-3-1-2-4-12(9)20-14(18)19/h1-7,13-14H
InChIKeyIVLJJARNLWKRDG-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.67
LogP ≤ 54.89
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-(difluoromethoxy)phenyl]methyl]-1,3,5-trifluorobenzene
CID 63430465
2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084726
3-[chloro-[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylthiophene
CID 55199092
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43192576
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
(2,5-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanamine
CID 43344658
2-[(4-bromo-2-methoxyphenyl)-chloromethyl]-1,4-difluorobenzene
CID 113296141
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
CID 82771504
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
1-[bromo-[2-(difluoromethoxy)phenyl]methyl]-2-chloro-4,5-difluorobenzene
CID 107477463
1-chloro-1-[2-(difluoromethoxy)-5-fluorophenyl]propan-2-one
CID 131320774

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene?
The IUPAC name of 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene (CID 61084727) is 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene is Fc1ccc(F)c(C(Cl)c2ccccc2OC(F)F)c1.
What is the InChIKey of 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene?
The InChIKey is IVLJJARNLWKRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O/c15-13(10-7-8(16)5-6-11(10)17)9-3-1-2-4-12(9)20-14(18)19/h1-7,13-14H.
What are the key properties of 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene?
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene has a molecular weight of 304.67 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene is sourced from PubChem (CID 61084727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).