1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol

C9H11F5O2 — CID 21018002

IUPAC1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)C=CCCC1
InChIInChI=1S/C9H11F5O2/c10-8(11,6(15)9(12,13)14)7(16)4-2-1-3-5-7/h2,4,6,15-16H,1,3,5H2
InChIKeyFWRDVTHGQCTXIO-UHFFFAOYSA-N
MW246.17 g/mol
LogP2.02
Rot. Bonds2

About 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol

1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol (PubChem CID 21018002) has the molecular formula C9H11F5O2 and a molecular weight of 246.17 g/mol. Its IUPAC name is 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol
PubChem CID21018002
Molecular FormulaC9H11F5O2
Molecular Weight246.17 g/mol
Exact Mass246.07
IUPAC Name1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol
SMILESOC(C(F)(F)F)C(F)(F)C1(O)C=CCCC1
InChIInChI=1S/C9H11F5O2/c10-8(11,6(15)9(12,13)14)7(16)4-2-1-3-5-7/h2,4,6,15-16H,1,3,5H2
InChIKeyFWRDVTHGQCTXIO-UHFFFAOYSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.17
LogP ≤ 52.02
H-Bond Donors ≤ 52
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 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol (CID 21018002) is 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol is OC(C(F)(F)F)C(F)(F)C1(O)C=CCCC1.
What is the InChIKey of 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol?
The InChIKey is FWRDVTHGQCTXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O2/c10-8(11,6(15)9(12,13)14)7(16)4-2-1-3-5-7/h2,4,6,15-16H,1,3,5H2.
What are the key properties of 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol?
1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol has a molecular weight of 246.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 21018002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).