1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene

C15H18F4O — CID 20705610

IUPAC1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C(F)(F)OC2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H18F4O/c1-9-3-6-11(7-4-9)20-15(18,19)12-8-5-10(2)13(16)14(12)17/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyBXZQRJQKMNVJMT-UHFFFAOYSA-N
MW290.30 g/mol
LogP4.92
Rot. Bonds3

About 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene

1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene (PubChem CID 20705610) has the molecular formula C15H18F4O and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
PubChem CID20705610
Molecular FormulaC15H18F4O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene
SMILESCc1ccc(C(F)(F)OC2CCC(C)CC2)c(F)c1F
InChIInChI=1S/C15H18F4O/c1-9-3-6-11(7-4-9)20-15(18,19)12-8-5-10(2)13(16)14(12)17/h5,8-9,11H,3-4,6-7H2,1-2H3
InChIKeyBXZQRJQKMNVJMT-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene?
The IUPAC name of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene (CID 20705610) is 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene.
What is the SMILES notation for 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene?
The canonical SMILES for 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene is Cc1ccc(C(F)(F)OC2CCC(C)CC2)c(F)c1F.
What is the InChIKey of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene?
The InChIKey is BXZQRJQKMNVJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O/c1-9-3-6-11(7-4-9)20-15(18,19)12-8-5-10(2)13(16)14(12)17/h5,8-9,11H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene?
1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene has a molecular weight of 290.30 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-(4-methylcyclohexyl)oxymethyl]-2,3-difluoro-4-methylbenzene is sourced from PubChem (CID 20705610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).