4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene

C10H11ClF2O — CID 71127951

IUPAC4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C10H11ClF2O/c1-6(2)8-4-3-7(11)5-9(8)14-10(12)13/h3-6,10H,1-2H3
InChIKeyQAKWWVKJQKMBKQ-UHFFFAOYSA-N
MW220.65 g/mol
LogP4.06
Rot. Bonds3

About 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene

4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene (PubChem CID 71127951) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
PubChem CID71127951
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C10H11ClF2O/c1-6(2)8-4-3-7(11)5-9(8)14-10(12)13/h3-6,10H,1-2H3
InChIKeyQAKWWVKJQKMBKQ-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethoxy)-4-fluoro-1-propan-2-ylbenzene
CID 167302491
1-(difluoromethoxy)-4,5-difluoro-2-propan-2-ylbenzene
CID 176611239
[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
CID 75485810
4-chloro-2-(difluoromethoxy)aniline
CID 19439738
5-chloro-2-(difluoromethoxy)benzenethiol
CID 130775302
4-chloro-2-methyl-1-propan-2-ylbenzene;hydrogen peroxide
CID 175483234
2-[4-chloro-2-(difluoromethoxy)phenyl]-3,7-dimethyl-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 68531123
4-chloro-2-(difluoromethoxy)benzoyl chloride
CID 131010858
2,5-dichloro-1-(difluoromethoxy)-3-(difluoromethyl)benzene
CID 118995717
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
1-[5-chloro-2-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43214102
2,5-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 43096601

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene?
The IUPAC name of 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene (CID 71127951) is 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene.
What is the SMILES notation for 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene?
The canonical SMILES for 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene is CC(C)c1ccc(Cl)cc1OC(F)F.
What is the InChIKey of 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene?
The InChIKey is QAKWWVKJQKMBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c1-6(2)8-4-3-7(11)5-9(8)14-10(12)13/h3-6,10H,1-2H3.
What are the key properties of 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene?
4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene has a molecular weight of 220.65 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene is sourced from PubChem (CID 71127951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).