(E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol

C12H18F6O2 — CID 87606544

IUPAC(E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol
SMILESCC(O)CCCCC/C=C/C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O2/c1-9(19)7-5-3-2-4-6-8-10(20,11(13,14)15)12(16,17)18/h6,8-9,19-20H,2-5,7H2,1H3/b8-6+
InChIKeyBEEMMWXVZBXPSV-SOFGYWHQSA-N
MW308.26 g/mol
LogP3.73
Rot. Bonds7

About (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol

(E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol (PubChem CID 87606544) has the molecular formula C12H18F6O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol
PubChem CID87606544
Molecular FormulaC12H18F6O2
Molecular Weight308.26 g/mol
Exact Mass308.12
IUPAC Name(E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol
SMILESCC(O)CCCCC/C=C/C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O2/c1-9(19)7-5-3-2-4-6-8-10(20,11(13,14)15)12(16,17)18/h6,8-9,19-20H,2-5,7H2,1H3/b8-6+
InChIKeyBEEMMWXVZBXPSV-SOFGYWHQSA-N
XLogP3.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-undec-8-en-2-ol
CID 118316981
(Z)-henicos-12-en-2-ol
CID 141141779
heptadec-9-en-2-ol
CID 54154410
(E)-tridec-8-en-2-ol
CID 173250287
icos-9-en-2-ol
CID 91416664
trifluoro-[(E)-11-hydroxydodec-1-enyl]boranuide
CID 11851403
(E)-non-7-en-2-ol
CID 14615052
(E,2R)-dec-7-en-2-ol
CID 89151124
(Z)-tridec-7-en-2-ol
CID 89138962
dec-3-ene-2,9-diol
CID 57127068
(E,10R)-10-hydroxyundec-2-enoic acid
CID 139031700
12-hydroxytridecanal
CID 11961599

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol?
The IUPAC name of (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol (CID 87606544) is (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol.
What is the SMILES notation for (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol?
The canonical SMILES for (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol is CC(O)CCCCC/C=C/C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol?
The InChIKey is BEEMMWXVZBXPSV-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H18F6O2/c1-9(19)7-5-3-2-4-6-8-10(20,11(13,14)15)12(16,17)18/h6,8-9,19-20H,2-5,7H2,1H3/b8-6+.
What are the key properties of (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol?
(E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol has a molecular weight of 308.26 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2-(trifluoromethyl)undec-3-ene-2,10-diol is sourced from PubChem (CID 87606544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).