2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene

C14H9ClF4O — CID 61084726

IUPAC2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(C(Cl)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C14H9ClF4O/c15-13(11-7-9(16)4-5-12(11)17)8-2-1-3-10(6-8)20-14(18)19/h1-7,13-14H
InChIKeyVVIIXSQMXQRDJD-UHFFFAOYSA-N
MW304.67 g/mol
LogP4.89
Rot. Bonds4

About 2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene

2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene (PubChem CID 61084726) has the molecular formula C14H9ClF4O and a molecular weight of 304.67 g/mol. Its IUPAC name is 2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
PubChem CID61084726
Molecular FormulaC14H9ClF4O
Molecular Weight304.67 g/mol
Exact Mass304.03
IUPAC Name2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(C(Cl)c2cccc(OC(F)F)c2)c1
InChIInChI=1S/C14H9ClF4O/c15-13(11-7-9(16)4-5-12(11)17)8-2-1-3-10(6-8)20-14(18)19/h1-7,13-14H
InChIKeyVVIIXSQMXQRDJD-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

1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene
CID 63436864
1-[3-(difluoromethoxy)phenyl]-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482866
[[3-(difluoromethoxy)phenyl]-(2,5-difluorophenyl)methyl]hydrazine
CID 105303330
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084727
2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene
CID 63436738
[3-(difluoromethoxy)phenyl]-(5-fluoro-2-methylphenyl)methanamine
CID 115852067
1-[chloro-[3-(difluoromethoxy)phenyl]methyl]-4-ethylbenzene
CID 63431932
[3-(difluoromethoxy)phenyl]-(2-fluorophenyl)methanol
CID 115781698
(2,5-difluorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 62918976
1-[3-(difluoromethoxy)phenyl]-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115851960
1-(2,5-difluorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 62920487
1-[3-(difluoromethoxy)phenyl]-1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
CID 115852460

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene?
The IUPAC name of 2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene (CID 61084726) is 2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene is Fc1ccc(F)c(C(Cl)c2cccc(OC(F)F)c2)c1.
What is the InChIKey of 2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene?
The InChIKey is VVIIXSQMXQRDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O/c15-13(11-7-9(16)4-5-12(11)17)8-2-1-3-10(6-8)20-14(18)19/h1-7,13-14H.
What are the key properties of 2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene?
2-[chloro-[3-(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-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene is sourced from PubChem (CID 61084726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).