2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane

C16H27F3O2 — CID 118181680

IUPAC2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane
SMILESCCCOC1CCC(C2CCC(OC)C(F)C2F)CC1F
InChIInChI=1S/C16H27F3O2/c1-3-8-21-13-6-4-10(9-12(13)17)11-5-7-14(20-2)16(19)15(11)18/h10-16H,3-9H2,1-2H3
InChIKeyCCKOGJKVFWMPSD-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.02
Rot. Bonds5

About 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane

2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane (PubChem CID 118181680) has the molecular formula C16H27F3O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane.

Molecular Properties

Compound Name2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane
PubChem CID118181680
Molecular FormulaC16H27F3O2
Molecular Weight308.38 g/mol
Exact Mass308.20
IUPAC Name2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane
SMILESCCCOC1CCC(C2CCC(OC)C(F)C2F)CC1F
InChIInChI=1S/C16H27F3O2/c1-3-8-21-13-6-4-10(9-12(13)17)11-5-7-14(20-2)16(19)15(11)18/h10-16H,3-9H2,1-2H3
InChIKeyCCKOGJKVFWMPSD-UHFFFAOYSA-N
XLogP4.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane?
The IUPAC name of 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane (CID 118181680) is 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane.
What is the SMILES notation for 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane?
The canonical SMILES for 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane is CCCOC1CCC(C2CCC(OC)C(F)C2F)CC1F.
What is the InChIKey of 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane?
The InChIKey is CCKOGJKVFWMPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O2/c1-3-8-21-13-6-4-10(9-12(13)17)11-5-7-14(20-2)16(19)15(11)18/h10-16H,3-9H2,1-2H3.
What are the key properties of 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane?
2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane has a molecular weight of 308.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane is sourced from PubChem (CID 118181680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).