2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol

C13H21F3O2 — CID 118554566

IUPAC2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol
SMILESCOC1CCC(C2CCC(O)C(F)C2F)C(F)C1
InChIInChI=1S/C13H21F3O2/c1-18-7-2-3-8(10(14)6-7)9-4-5-11(17)13(16)12(9)15/h7-13,17H,2-6H2,1H3
InChIKeyNDEXYNGOIFKBRL-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.59
Rot. Bonds2

About 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol

2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol (PubChem CID 118554566) has the molecular formula C13H21F3O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol
PubChem CID118554566
Molecular FormulaC13H21F3O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol
SMILESCOC1CCC(C2CCC(O)C(F)C2F)C(F)C1
InChIInChI=1S/C13H21F3O2/c1-18-7-2-3-8(10(14)6-7)9-4-5-11(17)13(16)12(9)15/h7-13,17H,2-6H2,1H3
InChIKeyNDEXYNGOIFKBRL-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol?
The IUPAC name of 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol (CID 118554566) is 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol is COC1CCC(C2CCC(O)C(F)C2F)C(F)C1.
What is the InChIKey of 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol?
The InChIKey is NDEXYNGOIFKBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3O2/c1-18-7-2-3-8(10(14)6-7)9-4-5-11(17)13(16)12(9)15/h7-13,17H,2-6H2,1H3.
What are the key properties of 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol?
2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol has a molecular weight of 266.30 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-(2-fluoro-4-methoxycyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 118554566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).