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

C15H13ClF2O — CID 62661101

IUPAC1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene
SMILESCCOc1ccc(C(Cl)c2cccc(F)c2F)cc1
InChIInChI=1S/C15H13ClF2O/c1-2-19-11-8-6-10(7-9-11)14(16)12-4-3-5-13(17)15(12)18/h3-9,14H,2H2,1H3
InChIKeyWVVZWAKCEFILIL-UHFFFAOYSA-N
MW282.72 g/mol
LogP4.69
Rot. Bonds4

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

1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene (PubChem CID 62661101) has the molecular formula C15H13ClF2O and a molecular weight of 282.72 g/mol. Its IUPAC name is 1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene
PubChem CID62661101
Molecular FormulaC15H13ClF2O
Molecular Weight282.72 g/mol
Exact Mass282.06
IUPAC Name1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene
SMILESCCOc1ccc(C(Cl)c2cccc(F)c2F)cc1
InChIInChI=1S/C15H13ClF2O/c1-2-19-11-8-6-10(7-9-11)14(16)12-4-3-5-13(17)15(12)18/h3-9,14H,2H2,1H3
InChIKeyWVVZWAKCEFILIL-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.72
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(4-butan-2-ylphenyl)-chloromethyl]-2,3-difluorobenzene
CID 63430545
5-[chloro-(4-ethoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63429318
2-[chloro-(4-ethoxyphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63429360
5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297096
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
1-bromo-3-[chloro-(4-methoxyphenyl)methyl]-2-fluorobenzene
CID 114020358
(4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 81477516
2-(2-chloro-6-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
CID 61099366
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191
3-[chloro-(4-ethoxyphenyl)methyl]-2-methylfuran
CID 61085111
1-[chloro-(4-ethoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431022
4-bromo-2-[chloro-(4-ethoxyphenyl)methyl]-1-iodobenzene
CID 114033411

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene?
The IUPAC name of 1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene (CID 62661101) is 1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene.
What is the SMILES notation for 1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene?
The canonical SMILES for 1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene is CCOc1ccc(C(Cl)c2cccc(F)c2F)cc1.
What is the InChIKey of 1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene?
The InChIKey is WVVZWAKCEFILIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O/c1-2-19-11-8-6-10(7-9-11)14(16)12-4-3-5-13(17)15(12)18/h3-9,14H,2H2,1H3.
What are the key properties of 1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene?
1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene has a molecular weight of 282.72 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-ethoxyphenyl)methyl]-2,3-difluorobenzene is sourced from PubChem (CID 62661101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).