1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane

C14H22F4O — CID 118191687

IUPAC1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane
SMILESCOC1CCC(C2CCC(C)C(F)C2F)C(F)C1F
InChIInChI=1S/C14H22F4O/c1-7-3-4-8(12(16)11(7)15)9-5-6-10(19-2)14(18)13(9)17/h7-14H,3-6H2,1-2H3
InChIKeyDYXQVXMGYVRMSG-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.81
Rot. Bonds2

About 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane

1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane (PubChem CID 118191687) has the molecular formula C14H22F4O and a molecular weight of 282.32 g/mol. Its IUPAC name is 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane.

Molecular Properties

Compound Name1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane
PubChem CID118191687
Molecular FormulaC14H22F4O
Molecular Weight282.32 g/mol
Exact Mass282.16
IUPAC Name1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane
SMILESCOC1CCC(C2CCC(C)C(F)C2F)C(F)C1F
InChIInChI=1S/C14H22F4O/c1-7-3-4-8(12(16)11(7)15)9-5-6-10(19-2)14(18)13(9)17/h7-14H,3-6H2,1-2H3
InChIKeyDYXQVXMGYVRMSG-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane?
The IUPAC name of 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane (CID 118191687) is 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane.
What is the SMILES notation for 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane?
The canonical SMILES for 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane is COC1CCC(C2CCC(C)C(F)C2F)C(F)C1F.
What is the InChIKey of 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane?
The InChIKey is DYXQVXMGYVRMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4O/c1-7-3-4-8(12(16)11(7)15)9-5-6-10(19-2)14(18)13(9)17/h7-14H,3-6H2,1-2H3.
What are the key properties of 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane?
1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane has a molecular weight of 282.32 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluoro-4-methoxycyclohexyl)-2,3-difluoro-4-methylcyclohexane is sourced from PubChem (CID 118191687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).