1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene

C10H11ClF2 — CID 169127619

IUPAC1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(Cl)c1C(F)F
InChIInChI=1S/C10H11ClF2/c1-6(2)7-4-3-5-8(11)9(7)10(12)13/h3-6,10H,1-2H3
InChIKeyPKFSKWZGCYQXPQ-UHFFFAOYSA-N
MW204.65 g/mol
LogP4.40
Rot. Bonds2

About 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene

1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene (PubChem CID 169127619) has the molecular formula C10H11ClF2 and a molecular weight of 204.65 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
PubChem CID169127619
Molecular FormulaC10H11ClF2
Molecular Weight204.65 g/mol
Exact Mass204.05
IUPAC Name1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(Cl)c1C(F)F
InChIInChI=1S/C10H11ClF2/c1-6(2)7-4-3-5-8(11)9(7)10(12)13/h3-6,10H,1-2H3
InChIKeyPKFSKWZGCYQXPQ-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.65
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dichloro-2-propan-2-ylbenzene
CID 14028117
2-chloro-6-propan-2-ylaniline
CID 18981698
ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
CID 117416044
1-(difluoromethyl)-2-propan-2-ylbenzene
CID 58978051
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951
1-chloro-2-methylsulfanyl-3-propan-2-ylbenzene
CID 142329867
2-chloro-4-methyl-1-propan-2-ylbenzene;1,3-dichloro-2-propan-2-ylbenzene
CID 164993906
(1R,2R)-1-(2,6-dichlorophenyl)-2-hydroxypropan-1-olate
CID 144705772
2-chloro-6-(difluoromethyl)aniline
CID 84656251
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
1-(2-chloro-6-propan-2-ylphenyl)ethanone
CID 157111113
(1R)-1-(2,6-dichlorophenyl)-2,2-difluoroethanamine
CID 130739555

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene (CID 169127619) is 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene is CC(C)c1cccc(Cl)c1C(F)F.
What is the InChIKey of 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene?
The InChIKey is PKFSKWZGCYQXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2/c1-6(2)7-4-3-5-8(11)9(7)10(12)13/h3-6,10H,1-2H3.
What are the key properties of 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene?
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene has a molecular weight of 204.65 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene is sourced from PubChem (CID 169127619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).