(E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol

C10H18F2O — CID 173492796

IUPAC(E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol
SMILESCCC(F)(F)C(C)(C)C/C=C(\C)O
InChIInChI=1S/C10H18F2O/c1-5-10(11,12)9(3,4)7-6-8(2)13/h6,13H,5,7H2,1-4H3/b8-6+
InChIKeyVHENMJKOPAJVLO-SOFGYWHQSA-N
MW192.25 g/mol
LogP3.91
Rot. Bonds4

About (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol

(E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol (PubChem CID 173492796) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol.

Molecular Properties

Compound Name(E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol
PubChem CID173492796
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name(E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol
SMILESCCC(F)(F)C(C)(C)C/C=C(\C)O
InChIInChI=1S/C10H18F2O/c1-5-10(11,12)9(3,4)7-6-8(2)13/h6,13H,5,7H2,1-4H3/b8-6+
InChIKeyVHENMJKOPAJVLO-SOFGYWHQSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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CID 12951106
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CID 170083407
4,4-difluoro-2,2,3,3-tetramethylhexane
CID 59226998
3-ethyl-3,6-dimethylhepta-1,5-diene
CID 54216224
1,1,1-trifluoro-2-methylhex-2-ene
CID 54402325
(Z)-2-bromo-4-fluoro-3,4-dimethylhex-2-ene
CID 165403711
4,4,5,5-tetrafluoro-3,3,6,6-tetramethyloctane
CID 88578867
(E)-2,2-difluoro-3,5,5-trimethylhept-3-ene
CID 130242959
(Z)-4-fluoro-3,3-dimethyloct-4-ene
CID 170342659
(3S)-4,4-difluoro-3,7-dimethylocta-1,6-dien-3-ol
CID 101113458
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CID 167317174

Frequently Asked Questions

What is the IUPAC name of (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol?
The IUPAC name of (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol (CID 173492796) is (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol.
What is the SMILES notation for (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol?
The canonical SMILES for (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol is CCC(F)(F)C(C)(C)C/C=C(\C)O.
What is the InChIKey of (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol?
The InChIKey is VHENMJKOPAJVLO-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H18F2O/c1-5-10(11,12)9(3,4)7-6-8(2)13/h6,13H,5,7H2,1-4H3/b8-6+.
What are the key properties of (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol?
(E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol has a molecular weight of 192.25 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-difluoro-5,5-dimethyloct-2-en-2-ol is sourced from PubChem (CID 173492796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).