1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene

C14H11Cl2F — CID 143567978

IUPAC1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene
SMILESCCc1c(Cl)cc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H11Cl2F/c1-2-12-13(15)7-10(8-14(12)16)9-3-5-11(17)6-4-9/h3-8H,2H2,1H3
InChIKeyNVMNXUQMEVSIEF-UHFFFAOYSA-N
MW269.15 g/mol
LogP5.36
Rot. Bonds2

About 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene

1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene (PubChem CID 143567978) has the molecular formula C14H11Cl2F and a molecular weight of 269.15 g/mol. Its IUPAC name is 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene
PubChem CID143567978
Molecular FormulaC14H11Cl2F
Molecular Weight269.15 g/mol
Exact Mass268.02
IUPAC Name1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene
SMILESCCc1c(Cl)cc(-c2ccc(F)cc2)cc1Cl
InChIInChI=1S/C14H11Cl2F/c1-2-12-13(15)7-10(8-14(12)16)9-3-5-11(17)6-4-9/h3-8H,2H2,1H3
InChIKeyNVMNXUQMEVSIEF-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.15
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dichloro-2-ethyl-5-(4-ethylphenyl)benzene
CID 137427176
1-ethyl-3,5-bis(4-fluorophenyl)benzene
CID 130381360
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
3-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-5-hydroxy-3H-furan-2-one
CID 67317293
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane
CID 143925315
[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine
CID 19807615
2-[[2,6-dichloro-4-(4-fluorophenyl)phenyl]methyl]-2-azaspiro[4.5]decan-1-one
CID 24863747
4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine
CID 79437703
1,2,3-trifluoro-5-(4-fluorophenyl)benzene
CID 12982677
1,3-dichloro-2-ethyl-4-fluoro-5-iodobenzene
CID 163849495
1,2-dichloro-4-(3,5-difluorophenyl)benzene
CID 134623188

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene?
The IUPAC name of 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene (CID 143567978) is 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene.
What is the SMILES notation for 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene?
The canonical SMILES for 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene is CCc1c(Cl)cc(-c2ccc(F)cc2)cc1Cl.
What is the InChIKey of 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene?
The InChIKey is NVMNXUQMEVSIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F/c1-2-12-13(15)7-10(8-14(12)16)9-3-5-11(17)6-4-9/h3-8H,2H2,1H3.
What are the key properties of 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene?
1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene has a molecular weight of 269.15 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene is sourced from PubChem (CID 143567978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).