3-fluoro-4-prop-2-enoxycyclohexan-1-ol

C9H15FO2 — CID 139472284

IUPAC3-fluoro-4-prop-2-enoxycyclohexan-1-ol
SMILESC=CCOC1CCC(O)CC1F
InChIInChI=1S/C9H15FO2/c1-2-5-12-9-4-3-7(11)6-8(9)10/h2,7-9,11H,1,3-6H2
InChIKeyGCNYWSIVTJCYON-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.44
Rot. Bonds3

About 3-fluoro-4-prop-2-enoxycyclohexan-1-ol

3-fluoro-4-prop-2-enoxycyclohexan-1-ol (PubChem CID 139472284) has the molecular formula C9H15FO2 and a molecular weight of 174.21 g/mol. Its IUPAC name is 3-fluoro-4-prop-2-enoxycyclohexan-1-ol.

Molecular Properties

Compound Name3-fluoro-4-prop-2-enoxycyclohexan-1-ol
PubChem CID139472284
Molecular FormulaC9H15FO2
Molecular Weight174.21 g/mol
Exact Mass174.11
IUPAC Name3-fluoro-4-prop-2-enoxycyclohexan-1-ol
SMILESC=CCOC1CCC(O)CC1F
InChIInChI=1S/C9H15FO2/c1-2-5-12-9-4-3-7(11)6-8(9)10/h2,7-9,11H,1,3-6H2
InChIKeyGCNYWSIVTJCYON-UHFFFAOYSA-N
XLogP1.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.44
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 3-fluoro-4-prop-2-enoxycyclohexan-1-ol?
The IUPAC name of 3-fluoro-4-prop-2-enoxycyclohexan-1-ol (CID 139472284) is 3-fluoro-4-prop-2-enoxycyclohexan-1-ol.
What is the SMILES notation for 3-fluoro-4-prop-2-enoxycyclohexan-1-ol?
The canonical SMILES for 3-fluoro-4-prop-2-enoxycyclohexan-1-ol is C=CCOC1CCC(O)CC1F.
What is the InChIKey of 3-fluoro-4-prop-2-enoxycyclohexan-1-ol?
The InChIKey is GCNYWSIVTJCYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO2/c1-2-5-12-9-4-3-7(11)6-8(9)10/h2,7-9,11H,1,3-6H2.
What are the key properties of 3-fluoro-4-prop-2-enoxycyclohexan-1-ol?
3-fluoro-4-prop-2-enoxycyclohexan-1-ol has a molecular weight of 174.21 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-prop-2-enoxycyclohexan-1-ol is sourced from PubChem (CID 139472284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).