5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene

C10H11ClF2O — CID 67427354

IUPAC5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene
SMILESCC(C)Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C10H11ClF2O/c1-6(2)14-10-8(12)3-7(5-11)4-9(10)13/h3-4,6H,5H2,1-2H3
InChIKeyJWKCJLAIWQGJJA-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.49
Rot. Bonds3

About 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene

5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene (PubChem CID 67427354) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene
PubChem CID67427354
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene
SMILESCC(C)Oc1c(F)cc(CCl)cc1F
InChIInChI=1S/C10H11ClF2O/c1-6(2)14-10-8(12)3-7(5-11)4-9(10)13/h3-4,6H,5H2,1-2H3
InChIKeyJWKCJLAIWQGJJA-UHFFFAOYSA-N
XLogP3.49
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 ≤ 53.49
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

4-Methyloxybenzyl chloride
CID 69993
4-(Chloromethyl)phenyl acetate
CID 148312
4-Ethoxystyrene
CID 79570
1-(4-Chlorobutoxy)-2-methylbenzene
CID 96477
1-(4-Chlorobutoxy)-3-methylbenzene
CID 96478
Benzene, 1-ethoxy-4-methyl-
CID 73955
p-Ethylphenetole
CID 74107
Feniculin
CID 91746961
4-Benzyloxybenzyl chloride
CID 70042
4-(2-Chloroethyl)phenyl methyl ether
CID 87513
4-Methoxy-trans-beta-chlorostyrene
CID 6368521
p-Butoxytoluene
CID 66337

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene?
The IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene (CID 67427354) is 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene.
What is the SMILES notation for 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene?
The canonical SMILES for 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene is CC(C)Oc1c(F)cc(CCl)cc1F.
What is the InChIKey of 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene?
The InChIKey is JWKCJLAIWQGJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c1-6(2)14-10-8(12)3-7(5-11)4-9(10)13/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene?
5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene has a molecular weight of 220.65 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-difluoro-2-propan-2-yloxybenzene is sourced from PubChem (CID 67427354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).