1-[difluoro(phenyl)methoxy]-3-fluorobenzene

C13H9F3O — CID 142370420

IUPAC1-[difluoro(phenyl)methoxy]-3-fluorobenzene
SMILESFc1cccc(OC(F)(F)c2ccccc2)c1
InChIInChI=1S/C13H9F3O/c14-11-7-4-8-12(9-11)17-13(15,16)10-5-2-1-3-6-10/h1-9H
InChIKeyJHJRFPKRFKMJCT-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.95
Rot. Bonds3

About 1-[difluoro(phenyl)methoxy]-3-fluorobenzene

1-[difluoro(phenyl)methoxy]-3-fluorobenzene (PubChem CID 142370420) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is 1-[difluoro(phenyl)methoxy]-3-fluorobenzene.

Molecular Properties

Compound Name1-[difluoro(phenyl)methoxy]-3-fluorobenzene
PubChem CID142370420
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name1-[difluoro(phenyl)methoxy]-3-fluorobenzene
SMILESFc1cccc(OC(F)(F)c2ccccc2)c1
InChIInChI=1S/C13H9F3O/c14-11-7-4-8-12(9-11)17-13(15,16)10-5-2-1-3-6-10/h1-9H
InChIKeyJHJRFPKRFKMJCT-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

difluoro-(3-fluorophenoxy)methanol
CID 143474773
(3-fluorophenyl) diphenyl phosphate
CID 154131589
2,2-difluoro-2-(3-fluorophenoxy)acetate
CID 162451015
[3-[(4-ethylphenyl)-difluoromethoxy]phenyl] hypofluorite
CID 130310575
2-(3-fluorophenoxy)-2-methylpropan-1-ol
CID 82075160
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
CID 70952663
1-chloro-4-[1-ethyl-1-(3-fluorophenoxy)propyl]benzene
CID 167170800
2-(3-fluorophenoxy)-2-methylpropan-1-amine
CID 28917625
3-fluoro-N-[3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propyl]aniline
CID 59192957
N-(3-fluorophenoxy)aniline
CID 141068441
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(phenyl)methoxy]-3-fluorobenzene?
The IUPAC name of 1-[difluoro(phenyl)methoxy]-3-fluorobenzene (CID 142370420) is 1-[difluoro(phenyl)methoxy]-3-fluorobenzene.
What is the SMILES notation for 1-[difluoro(phenyl)methoxy]-3-fluorobenzene?
The canonical SMILES for 1-[difluoro(phenyl)methoxy]-3-fluorobenzene is Fc1cccc(OC(F)(F)c2ccccc2)c1.
What is the InChIKey of 1-[difluoro(phenyl)methoxy]-3-fluorobenzene?
The InChIKey is JHJRFPKRFKMJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c14-11-7-4-8-12(9-11)17-13(15,16)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 1-[difluoro(phenyl)methoxy]-3-fluorobenzene?
1-[difluoro(phenyl)methoxy]-3-fluorobenzene has a molecular weight of 238.21 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(phenyl)methoxy]-3-fluorobenzene is sourced from PubChem (CID 142370420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).