2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene

C13H9ClF2O — CID 103041739

IUPAC2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
SMILESFc1cccc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H9ClF2O/c14-12-6-9(4-5-13(12)16)8-17-11-3-1-2-10(15)7-11/h1-7H,8H2
InChIKeyXIFKXAOFMPNONB-UHFFFAOYSA-N
MW254.66 g/mol
LogP4.20
Rot. Bonds3

About 2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene

2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene (PubChem CID 103041739) has the molecular formula C13H9ClF2O and a molecular weight of 254.66 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
PubChem CID103041739
Molecular FormulaC13H9ClF2O
Molecular Weight254.66 g/mol
Exact Mass254.03
IUPAC Name2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
SMILESFc1cccc(OCc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C13H9ClF2O/c14-12-6-9(4-5-13(12)16)8-17-11-3-1-2-10(15)7-11/h1-7H,8H2
InChIKeyXIFKXAOFMPNONB-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

(1S)-1-[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037860
2-[3-[(3-chloro-4-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 103040665
N-[[3-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methyl]propan-1-amine
CID 103037800
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
1,2-difluoro-4-[(3-fluorophenyl)methoxy]benzene
CID 112788397
3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole
CID 141410898
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
1-[(3-chloro-4-fluorophenyl)methoxy]-3-(3-chloroprop-1-ynyl)-5-fluorobenzene
CID 103040606

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene?
The IUPAC name of 2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene (CID 103041739) is 2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene is Fc1cccc(OCc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene?
The InChIKey is XIFKXAOFMPNONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2O/c14-12-6-9(4-5-13(12)16)8-17-11-3-1-2-10(15)7-11/h1-7H,8H2.
What are the key properties of 2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene?
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene 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-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene is sourced from PubChem (CID 103041739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).