[4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol

C17H27F3O2 — CID 140678026

IUPAC[4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol
SMILESC/C=C\COC1CCC(C2CCC(CO)C(F)C2F)C(F)C1
InChIInChI=1S/C17H27F3O2/c1-2-3-8-22-12-5-7-13(15(18)9-12)14-6-4-11(10-21)16(19)17(14)20/h2-3,11-17,21H,4-10H2,1H3/b3-2-
InChIKeyVQOUORZSRNYDIN-IHWYPQMZSA-N
MW320.40 g/mol
LogP3.78
Rot. Bonds5

About [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol

[4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol (PubChem CID 140678026) has the molecular formula C17H27F3O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol.

Molecular Properties

Compound Name[4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol
PubChem CID140678026
Molecular FormulaC17H27F3O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name[4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol
SMILESC/C=C\COC1CCC(C2CCC(CO)C(F)C2F)C(F)C1
InChIInChI=1S/C17H27F3O2/c1-2-3-8-22-12-5-7-13(15(18)9-12)14-6-4-11(10-21)16(19)17(14)20/h2-3,11-17,21H,4-10H2,1H3/b3-2-
InChIKeyVQOUORZSRNYDIN-IHWYPQMZSA-N
XLogP3.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol?
The IUPAC name of [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol (CID 140678026) is [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol.
What is the SMILES notation for [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol?
The canonical SMILES for [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol is C/C=C\COC1CCC(C2CCC(CO)C(F)C2F)C(F)C1.
What is the InChIKey of [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol?
The InChIKey is VQOUORZSRNYDIN-IHWYPQMZSA-N. The full InChI is InChI=1S/C17H27F3O2/c1-2-3-8-22-12-5-7-13(15(18)9-12)14-6-4-11(10-21)16(19)17(14)20/h2-3,11-17,21H,4-10H2,1H3/b3-2-.
What are the key properties of [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol?
[4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol has a molecular weight of 320.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(Z)-but-2-enoxy]-2-fluorocyclohexyl]-2,3-difluorocyclohexyl]methanol is sourced from PubChem (CID 140678026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).