1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene

C10H9ClF4O — CID 22261405

IUPAC1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene
SMILESCc1ccc(Cl)c(OC(F)(F)C(C)(F)F)c1
InChIInChI=1S/C10H9ClF4O/c1-6-3-4-7(11)8(5-6)16-10(14,15)9(2,12)13/h3-5H,1-2H3
InChIKeyUNOPVUDQWUHZJO-UHFFFAOYSA-N
MW256.63 g/mol
LogP4.28
Rot. Bonds3

About 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene

1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene (PubChem CID 22261405) has the molecular formula C10H9ClF4O and a molecular weight of 256.63 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene.

Molecular Properties

Compound Name1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene
PubChem CID22261405
Molecular FormulaC10H9ClF4O
Molecular Weight256.63 g/mol
Exact Mass256.03
IUPAC Name1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene
SMILESCc1ccc(Cl)c(OC(F)(F)C(C)(F)F)c1
InChIInChI=1S/C10H9ClF4O/c1-6-3-4-7(11)8(5-6)16-10(14,15)9(2,12)13/h3-5H,1-2H3
InChIKeyUNOPVUDQWUHZJO-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.63
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene?
The IUPAC name of 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene (CID 22261405) is 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene.
What is the SMILES notation for 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene?
The canonical SMILES for 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene is Cc1ccc(Cl)c(OC(F)(F)C(C)(F)F)c1.
What is the InChIKey of 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene?
The InChIKey is UNOPVUDQWUHZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4O/c1-6-3-4-7(11)8(5-6)16-10(14,15)9(2,12)13/h3-5H,1-2H3.
What are the key properties of 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene?
1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene has a molecular weight of 256.63 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-(1,1,2,2-tetrafluoropropoxy)benzene is sourced from PubChem (CID 22261405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).