5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene

C13H14F4O — CID 146572748

IUPAC5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene
SMILESCOc1c(F)cc(C2CCC(F)(F)CC2)cc1F
InChIInChI=1S/C13H14F4O/c1-18-12-10(14)6-9(7-11(12)15)8-2-4-13(16,17)5-3-8/h6-8H,2-5H2,1H3
InChIKeyGCUKOUADXHDHPW-UHFFFAOYSA-N
MW262.25 g/mol
LogP4.27
Rot. Bonds2

About 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene

5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene (PubChem CID 146572748) has the molecular formula C13H14F4O and a molecular weight of 262.25 g/mol. Its IUPAC name is 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene.

Molecular Properties

Compound Name5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene
PubChem CID146572748
Molecular FormulaC13H14F4O
Molecular Weight262.25 g/mol
Exact Mass262.10
IUPAC Name5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene
SMILESCOc1c(F)cc(C2CCC(F)(F)CC2)cc1F
InChIInChI=1S/C13H14F4O/c1-18-12-10(14)6-9(7-11(12)15)8-2-4-13(16,17)5-3-8/h6-8H,2-5H2,1H3
InChIKeyGCUKOUADXHDHPW-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene?
The IUPAC name of 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene (CID 146572748) is 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene.
What is the SMILES notation for 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene?
The canonical SMILES for 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene is COc1c(F)cc(C2CCC(F)(F)CC2)cc1F.
What is the InChIKey of 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene?
The InChIKey is GCUKOUADXHDHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O/c1-18-12-10(14)6-9(7-11(12)15)8-2-4-13(16,17)5-3-8/h6-8H,2-5H2,1H3.
What are the key properties of 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene?
5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene has a molecular weight of 262.25 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluorocyclohexyl)-1,3-difluoro-2-methoxybenzene is sourced from PubChem (CID 146572748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).