2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C10H12F6O — CID 58999854

IUPAC2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1=CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c11-9(12,13)8(17,10(14,15)16)6-7-4-2-1-3-5-7/h4,17H,1-3,5-6H2
InChIKeyLDENNEAEQHWYKO-UHFFFAOYSA-N
MW262.19 g/mol
LogP3.73
Rot. Bonds2

About 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 58999854) has the molecular formula C10H12F6O and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID58999854
Molecular FormulaC10H12F6O
Molecular Weight262.19 g/mol
Exact Mass262.08
IUPAC Name2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESOC(CC1=CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12F6O/c11-9(12,13)8(17,10(14,15)16)6-7-4-2-1-3-5-7/h4,17H,1-3,5-6H2
InChIKeyLDENNEAEQHWYKO-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 88918236
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CID 91300240
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CID 118862603
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CID 138643504
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CID 139896569
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CID 140045550
CID 140045550

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 58999854) is 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is OC(CC1=CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is LDENNEAEQHWYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O/c11-9(12,13)8(17,10(14,15)16)6-7-4-2-1-3-5-7/h4,17H,1-3,5-6H2.
What are the key properties of 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 262.19 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 58999854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).