1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene

C10H12ClFO — CID 91718298

IUPAC1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFO/c1-7(2)13-6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyLCAGIUAMUFTSHZ-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.40
Rot. Bonds3

About 1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene

1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene (PubChem CID 91718298) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene
PubChem CID91718298
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene
SMILESCC(C)OCc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFO/c1-7(2)13-6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3
InChIKeyLCAGIUAMUFTSHZ-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.40
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-(propan-2-yloxymethyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene (CID 91718298) is 1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene is CC(C)OCc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene?
The InChIKey is LCAGIUAMUFTSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-7(2)13-6-8-9(11)4-3-5-10(8)12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene?
1-chloro-3-fluoro-2-(propan-2-yloxymethyl)benzene has a molecular weight of 202.66 g/mol, XLogP of 3.40, 3 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-(propan-2-yloxymethyl)benzene is sourced from PubChem (CID 91718298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).