1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane

C15H25F3O2 — CID 118181702

IUPAC1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane
SMILESCCOC1CCC(C2CCC(OC)C(F)C2F)CC1F
InChIInChI=1S/C15H25F3O2/c1-3-20-12-6-4-9(8-11(12)16)10-5-7-13(19-2)15(18)14(10)17/h9-15H,3-8H2,1-2H3
InChIKeySXQUQLRVGZXPBF-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.63
Rot. Bonds4

About 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane

1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane (PubChem CID 118181702) has the molecular formula C15H25F3O2 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane.

Molecular Properties

Compound Name1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane
PubChem CID118181702
Molecular FormulaC15H25F3O2
Molecular Weight294.36 g/mol
Exact Mass294.18
IUPAC Name1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane
SMILESCCOC1CCC(C2CCC(OC)C(F)C2F)CC1F
InChIInChI=1S/C15H25F3O2/c1-3-20-12-6-4-9(8-11(12)16)10-5-7-13(19-2)15(18)14(10)17/h9-15H,3-8H2,1-2H3
InChIKeySXQUQLRVGZXPBF-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane?
The IUPAC name of 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane (CID 118181702) is 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane.
What is the SMILES notation for 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane?
The canonical SMILES for 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane is CCOC1CCC(C2CCC(OC)C(F)C2F)CC1F.
What is the InChIKey of 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane?
The InChIKey is SXQUQLRVGZXPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O2/c1-3-20-12-6-4-9(8-11(12)16)10-5-7-13(19-2)15(18)14(10)17/h9-15H,3-8H2,1-2H3.
What are the key properties of 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane?
1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane has a molecular weight of 294.36 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane is sourced from PubChem (CID 118181702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).