1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol

C10H11F7O — CID 139896569

IUPAC1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)(F)C1(F)C=CC(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H11F7O/c1-5(2)9(15,18)7(12)4-3-6(11)8(13,14)10(7,16)17/h3-6,18H,1-2H3
InChIKeyOCZBYAAHOHNMEM-UHFFFAOYSA-N
MW280.18 g/mol
LogP3.19
Rot. Bonds2

About 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol

1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol (PubChem CID 139896569) has the molecular formula C10H11F7O and a molecular weight of 280.18 g/mol. Its IUPAC name is 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol
PubChem CID139896569
Molecular FormulaC10H11F7O
Molecular Weight280.18 g/mol
Exact Mass280.07
IUPAC Name1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol
SMILESCC(C)C(O)(F)C1(F)C=CC(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H11F7O/c1-5(2)9(15,18)7(12)4-3-6(11)8(13,14)10(7,16)17/h3-6,18H,1-2H3
InChIKeyOCZBYAAHOHNMEM-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol with MolForge

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Related Compounds

2-Cyclohex-2-en-1-yl-1,1,1-trifluoropropan-2-ol
CID 13601564
(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol
CID 134957805
(3R,4S,6S)-3-fluoro-6,10-dimethyl-3-(trifluoromethyl)undeca-1,9-dien-4-ol
CID 165415816
2-(Cyclohexen-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58999854
1,1,1,3,3,3-Hexafluoro-2-[(2-methylcyclohex-3-en-1-yl)methyl]propan-2-ol;tungsten;yttrium
CID 60099191
3-Cyclohex-3-en-1-yl-1,1,1-trifluoro-2-methylpropan-2-ol
CID 67968240
4-Cyclopent-2-en-1-yl-1,1,1-trifluoro-2-(fluoromethyl)butan-2-ol
CID 68274125
8,8-Difluoro-7-(trifluoromethyl)bicyclo[4.2.0]oct-3-en-7-ol
CID 70985483
1,1-Difluoro-1-(4-methylcyclohex-2-en-1-yl)pentan-2-ol
CID 71163604
2-(Cyclohex-3-en-1-ylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87065332
(Z)-5-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)non-7-en-2-ol
CID 88529426
(Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol
CID 88575381

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol (CID 139896569) is 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol is CC(C)C(O)(F)C1(F)C=CC(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol?
The InChIKey is OCZBYAAHOHNMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F7O/c1-5(2)9(15,18)7(12)4-3-6(11)8(13,14)10(7,16)17/h3-6,18H,1-2H3.
What are the key properties of 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol?
1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol has a molecular weight of 280.18 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 139896569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).