1-chloro-2-fluoro-4-(1-phenylethoxy)benzene

C14H12ClFO — CID 82726969

IUPAC1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
SMILESCC(Oc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C14H12ClFO/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h2-10H,1H3
InChIKeyYEMFNVMXDQRVOE-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.62
Rot. Bonds3

About 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene

1-chloro-2-fluoro-4-(1-phenylethoxy)benzene (PubChem CID 82726969) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
PubChem CID82726969
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name1-chloro-2-fluoro-4-(1-phenylethoxy)benzene
SMILESCC(Oc1ccc(Cl)c(F)c1)c1ccccc1
InChIInChI=1S/C14H12ClFO/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h2-10H,1H3
InChIKeyYEMFNVMXDQRVOE-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-5-(1-phenylethoxy)aniline
CID 58022217
2-(4-chloro-3-fluorophenoxy)-N-methyl-2-phenylethanamine
CID 82726931
4-chloro-7-(1-phenylethoxy)quinoline
CID 141359583
2-(4-chloro-3-fluorophenoxy)-N-phenylpropanamide
CID 82705817
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
1-(4-chloro-3-fluorophenoxy)-1-(2-fluorophenyl)propan-2-amine
CID 82716782
1-[3-(4-chloro-3-fluorophenoxy)phenyl]ethanamine
CID 82716269
2-(4-chloro-3-fluorophenoxy)propanethioamide
CID 82716100
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
2-(4-chloro-3-fluorophenoxy)-3-methylbutan-1-amine
CID 82727291
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
2-methyl-4-[(1S)-1-phenylethoxy]aniline
CID 51684094

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene?
The IUPAC name of 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene (CID 82726969) is 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene is CC(Oc1ccc(Cl)c(F)c1)c1ccccc1.
What is the InChIKey of 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene?
The InChIKey is YEMFNVMXDQRVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c1-10(11-5-3-2-4-6-11)17-12-7-8-13(15)14(16)9-12/h2-10H,1H3.
What are the key properties of 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene?
1-chloro-2-fluoro-4-(1-phenylethoxy)benzene has a molecular weight of 250.70 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-(1-phenylethoxy)benzene is sourced from PubChem (CID 82726969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).