2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene

C13H9ClF2O — CID 60975597

IUPAC2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(COc2cccc(Cl)c2)c1
InChIInChI=1S/C13H9ClF2O/c14-10-2-1-3-12(7-10)17-8-9-6-11(15)4-5-13(9)16/h1-7H,8H2
InChIKeyLQCGURAJIBBWOG-UHFFFAOYSA-N
MW254.66 g/mol
LogP4.20
Rot. Bonds3

About 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene

2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene (PubChem CID 60975597) has the molecular formula C13H9ClF2O and a molecular weight of 254.66 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
PubChem CID60975597
Molecular FormulaC13H9ClF2O
Molecular Weight254.66 g/mol
Exact Mass254.03
IUPAC Name2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
SMILESFc1ccc(F)c(COc2cccc(Cl)c2)c1
InChIInChI=1S/C13H9ClF2O/c14-10-2-1-3-12(7-10)17-8-9-6-11(15)4-5-13(9)16/h1-7H,8H2
InChIKeyLQCGURAJIBBWOG-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.66
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107457483
2-[(3-chlorophenoxy)methyl]-5-fluorobenzenecarbothioamide
CID 63292817
N-[[3-[(3-chlorophenoxy)methyl]-4-fluorophenyl]methyl]ethanamine
CID 107457482
4-chloro-2-[(3-chlorophenoxy)methyl]-1-methoxybenzene
CID 64764179
3-[(5-chloro-2-fluorophenyl)methoxy]benzaldehyde
CID 102974979
3-[3-[(5-chloro-2-fluorophenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 103049220
5-(4-chlorophenyl)-3-[3-[(2,5-difluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044035
2-[(2-ethoxyphenoxy)methyl]-1,4-difluorobenzene
CID 112842348
2-(bromomethyl)-1-[(5-chloro-2-fluorophenyl)methoxy]-4-fluorobenzene
CID 107698978
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
3-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]prop-2-yn-1-ol
CID 102619434
3-[(5-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 103046763

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene (CID 60975597) is 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene is Fc1ccc(F)c(COc2cccc(Cl)c2)c1.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene?
The InChIKey is LQCGURAJIBBWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O/c14-10-2-1-3-12(7-10)17-8-9-6-11(15)4-5-13(9)16/h1-7H,8H2.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene?
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene has a molecular weight of 254.66 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene is sourced from PubChem (CID 60975597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).