3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene

C8H7ClF2O — CID 119000301

IUPAC3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene
SMILESCc1c(F)ccc(OCF)c1Cl
InChIInChI=1S/C8H7ClF2O/c1-5-6(11)2-3-7(8(5)9)12-4-10/h2-3H,4H2,1H3
InChIKeyULSADYQRMASUHC-UHFFFAOYSA-N
MW192.59 g/mol
LogP3.09
Rot. Bonds2

About 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene

3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene (PubChem CID 119000301) has the molecular formula C8H7ClF2O and a molecular weight of 192.59 g/mol. Its IUPAC name is 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene.

Molecular Properties

Compound Name3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene
PubChem CID119000301
Molecular FormulaC8H7ClF2O
Molecular Weight192.59 g/mol
Exact Mass192.02
IUPAC Name3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene
SMILESCc1c(F)ccc(OCF)c1Cl
InChIInChI=1S/C8H7ClF2O/c1-5-6(11)2-3-7(8(5)9)12-4-10/h2-3H,4H2,1H3
InChIKeyULSADYQRMASUHC-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.59
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene?
The IUPAC name of 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene (CID 119000301) is 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene.
What is the SMILES notation for 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene?
The canonical SMILES for 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene is Cc1c(F)ccc(OCF)c1Cl.
What is the InChIKey of 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene?
The InChIKey is ULSADYQRMASUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2O/c1-5-6(11)2-3-7(8(5)9)12-4-10/h2-3H,4H2,1H3.
What are the key properties of 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene?
3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene has a molecular weight of 192.59 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-fluoro-4-(fluoromethoxy)-2-methylbenzene is sourced from PubChem (CID 119000301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).