1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene

C11H14ClFO — CID 91718294

IUPAC1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene
SMILESCC(C)COCc1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFO/c1-8(2)6-14-7-9-10(12)4-3-5-11(9)13/h3-5,8H,6-7H2,1-2H3
InChIKeyUSRZSMBUILAMOK-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.65
Rot. Bonds4

About 1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene

1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene (PubChem CID 91718294) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene
PubChem CID91718294
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene
SMILESCC(C)COCc1c(F)cccc1Cl
InChIInChI=1S/C11H14ClFO/c1-8(2)6-14-7-9-10(12)4-3-5-11(9)13/h3-5,8H,6-7H2,1-2H3
InChIKeyUSRZSMBUILAMOK-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ether, bis(2,6-dichlorobenzyl)
CID 52735
Benzenemethanol, 4-chloro-, 1-acetate
CID 79407
Bis(p-chlorobenzyl) ether
CID 41869
Benzene, 1-chloro-4-((2-propyn-1-yloxy)methyl)-
CID 10559300
Benzoic acid, p-chlorothio-, O-ethyl ester
CID 84101
2-(2-Chlorophenyl)oxirane
CID 560709
(2R)-2-(2-chlorophenyl)oxirane
CID 12035191
(2S)-2-(2-chlorophenyl)oxirane
CID 12561900
1,3-Dichloro-2-(methoxymethyl)benzene
CID 118490
3-[(2-chloro-6-fluorobenzyl)oxy]-2-methyl-4H-pyran-4-one
CID 1490067
1,1'-Biphenyl, 2-chloro-4'-(methoxymethyl)-
CID 3066107
1,1'-Biphenyl, 2-chloro-4'-(ethoxymethyl)-
CID 3066108

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene (CID 91718294) is 1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene is CC(C)COCc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene?
The InChIKey is USRZSMBUILAMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-8(2)6-14-7-9-10(12)4-3-5-11(9)13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene?
1-chloro-3-fluoro-2-(2-methylpropoxymethyl)benzene has a molecular weight of 216.68 g/mol, XLogP of 3.65, 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-methylpropoxymethyl)benzene is sourced from PubChem (CID 91718294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).