1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene

C15H14ClFO — CID 102907628

IUPAC1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene
SMILESCOCCc1ccccc1-c1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFO/c1-18-10-9-11-5-2-3-6-12(11)15-13(16)7-4-8-14(15)17/h2-8H,9-10H2,1H3
InChIKeyNLFZUYMLIZJJNJ-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.34
Rot. Bonds4

About 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene

1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene (PubChem CID 102907628) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene
PubChem CID102907628
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene
SMILESCOCCc1ccccc1-c1c(F)cccc1Cl
InChIInChI=1S/C15H14ClFO/c1-18-10-9-11-5-2-3-6-12(11)15-13(16)7-4-8-14(15)17/h2-8H,9-10H2,1H3
InChIKeyNLFZUYMLIZJJNJ-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene?
The IUPAC name of 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene (CID 102907628) is 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene is COCCc1ccccc1-c1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene?
The InChIKey is NLFZUYMLIZJJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-18-10-9-11-5-2-3-6-12(11)15-13(16)7-4-8-14(15)17/h2-8H,9-10H2,1H3.
What are the key properties of 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene?
1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene has a molecular weight of 264.73 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-[2-(2-methoxyethyl)phenyl]benzene is sourced from PubChem (CID 102907628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).