(E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol

C12H18F4O2 — CID 176556800

IUPAC(E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol
SMILESC/C=C/C(F)(C1CCCCC1)C(O)(O)C(F)(F)F
InChIInChI=1S/C12H18F4O2/c1-2-8-10(13,9-6-4-3-5-7-9)11(17,18)12(14,15)16/h2,8-9,17-18H,3-7H2,1H3/b8-2+
InChIKeyWGEBIRYUTIPFKF-KRXBUXKQSA-N
MW270.27 g/mol
LogP3.09
Rot. Bonds3

About (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol

(E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol (PubChem CID 176556800) has the molecular formula C12H18F4O2 and a molecular weight of 270.27 g/mol. Its IUPAC name is (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol.

Molecular Properties

Compound Name(E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol
PubChem CID176556800
Molecular FormulaC12H18F4O2
Molecular Weight270.27 g/mol
Exact Mass270.12
IUPAC Name(E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol
SMILESC/C=C/C(F)(C1CCCCC1)C(O)(O)C(F)(F)F
InChIInChI=1S/C12H18F4O2/c1-2-8-10(13,9-6-4-3-5-7-9)11(17,18)12(14,15)16/h2,8-9,17-18H,3-7H2,1H3/b8-2+
InChIKeyWGEBIRYUTIPFKF-KRXBUXKQSA-N
XLogP3.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclohex-2-en-1-yl-1,1,1-trifluoropropan-2-ol
CID 13601564
(R)-2-cyclohexyl-1,1,1-trifluoropent-4-en-2-ol
CID 118988123
(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol
CID 134957805
2-[[3-[(Z)-but-2-enyl]-4-methylcyclohexyl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89159921
(Z)-6-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)dec-8-en-2-ol
CID 89233777
1,1,1,3,3,3-Hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol
CID 123992252
2-[(2,5-Dimethylcyclohex-3-en-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 126626962
1,1,1,3,3,3-Hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohex-2-en-1-yl]propan-2-ol
CID 138643504
1-Fluoro-1-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)-2-methylpropan-1-ol
CID 139896569
1,1,1-Trifluoro-6-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-2-(trifluoromethyl)hex-4-en-2-ol
CID 141392734
1,2,2,3,3,4-Hexafluoro-4-(1,4,5,5,6,6-hexafluorocyclohex-2-en-1-yl)pentane-1,1-diol
CID 141429710
1-[1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-(1-hydroxycyclohex-3-en-1-yl)hexyl]cyclohex-3-en-1-ol
CID 156526172

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol?
The IUPAC name of (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol (CID 176556800) is (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol.
What is the SMILES notation for (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol?
The canonical SMILES for (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol is C/C=C/C(F)(C1CCCCC1)C(O)(O)C(F)(F)F.
What is the InChIKey of (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol?
The InChIKey is WGEBIRYUTIPFKF-KRXBUXKQSA-N. The full InChI is InChI=1S/C12H18F4O2/c1-2-8-10(13,9-6-4-3-5-7-9)11(17,18)12(14,15)16/h2,8-9,17-18H,3-7H2,1H3/b8-2+.
What are the key properties of (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol?
(E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol has a molecular weight of 270.27 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclohexyl-1,1,1,3-tetrafluorohex-4-ene-2,2-diol is sourced from PubChem (CID 176556800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).