1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene

C14H11F3O — CID 107661926

IUPAC1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2cccc(F)c2F)c1F
InChIInChI=1S/C14H11F3O/c1-9-4-2-7-12(13(9)16)18-8-10-5-3-6-11(15)14(10)17/h2-7H,8H2,1H3
InChIKeyKGWNWZAVUQQISQ-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.99
Rot. Bonds3

About 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene

1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene (PubChem CID 107661926) has the molecular formula C14H11F3O and a molecular weight of 252.24 g/mol. Its IUPAC name is 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
PubChem CID107661926
Molecular FormulaC14H11F3O
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Name1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
SMILESCc1cccc(OCc2cccc(F)c2F)c1F
InChIInChI=1S/C14H11F3O/c1-9-4-2-7-12(13(9)16)18-8-10-5-3-6-11(15)14(10)17/h2-7H,8H2,1H3
InChIKeyKGWNWZAVUQQISQ-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
1,2-difluoro-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzene
CID 81004752
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
1-(bromomethyl)-2-[(2,3-difluorophenyl)methoxy]-3-methylbenzene
CID 112614225
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
4-[(2,3-difluorophenyl)methoxy]-3-methylbenzoic acid
CID 107674089
[4-fluoro-3-[(2-fluoro-3-methylphenoxy)methyl]phenyl]methanamine
CID 107656549
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-[2-[(2,3-difluorophenyl)methoxy]-3-methylphenyl]propan-2-amine
CID 115958090
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
2-fluoro-1-[(2-methoxy-5-methylphenyl)methoxy]-3-methylbenzene
CID 107662038

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene?
The IUPAC name of 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene (CID 107661926) is 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene?
The canonical SMILES for 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene is Cc1cccc(OCc2cccc(F)c2F)c1F.
What is the InChIKey of 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene?
The InChIKey is KGWNWZAVUQQISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O/c1-9-4-2-7-12(13(9)16)18-8-10-5-3-6-11(15)14(10)17/h2-7H,8H2,1H3.
What are the key properties of 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene?
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene has a molecular weight of 252.24 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene is sourced from PubChem (CID 107661926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).