1,1-difluorohex-2-ene-1,5-diol

C6H10F2O2 — CID 90736325

IUPAC1,1-difluorohex-2-ene-1,5-diol
SMILESCC(O)CC=CC(O)(F)F
InChIInChI=1S/C6H10F2O2/c1-5(9)3-2-4-6(7,8)10/h2,4-5,9-10H,3H2,1H3
InChIKeyWODYHHZFMJJLDB-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.90
Rot. Bonds3

About 1,1-difluorohex-2-ene-1,5-diol

1,1-difluorohex-2-ene-1,5-diol (PubChem CID 90736325) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 1,1-difluorohex-2-ene-1,5-diol.

Molecular Properties

Compound Name1,1-difluorohex-2-ene-1,5-diol
PubChem CID90736325
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name1,1-difluorohex-2-ene-1,5-diol
SMILESCC(O)CC=CC(O)(F)F
InChIInChI=1S/C6H10F2O2/c1-5(9)3-2-4-6(7,8)10/h2,4-5,9-10H,3H2,1H3
InChIKeyWODYHHZFMJJLDB-UHFFFAOYSA-N
XLogP0.90
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hex-4-en-3-ol
CID 5366234
(A+/-)-trans-hex-4-en-3-ol
CID 11297938
(3R,4E)-4-Hexen-3-ol
CID 10855390
(Z)-hex-4-en-3-ol
CID 12465989
1,5-Heptadiene-3,4-diol
CID 5366240
(5Z,8Z)-1,5,8-undecatriene-3,7-diol
CID 121232664
2-Hexene-4-OL
CID 20930
(E)-hept-4-en-3-ol
CID 10986188
(E,3R)-hept-4-en-3-ol
CID 11007865
Hept-4-en-3-ol
CID 54304315
4,4,5-Trifluoro-6-methylhepta-1,5-dien-3-ol
CID 12082274
(4E)-4,5-difluoronona-1,4-dien-3-ol
CID 101004865

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorohex-2-ene-1,5-diol?
The IUPAC name of 1,1-difluorohex-2-ene-1,5-diol (CID 90736325) is 1,1-difluorohex-2-ene-1,5-diol.
What is the SMILES notation for 1,1-difluorohex-2-ene-1,5-diol?
The canonical SMILES for 1,1-difluorohex-2-ene-1,5-diol is CC(O)CC=CC(O)(F)F.
What is the InChIKey of 1,1-difluorohex-2-ene-1,5-diol?
The InChIKey is WODYHHZFMJJLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-5(9)3-2-4-6(7,8)10/h2,4-5,9-10H,3H2,1H3.
What are the key properties of 1,1-difluorohex-2-ene-1,5-diol?
1,1-difluorohex-2-ene-1,5-diol has a molecular weight of 152.14 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorohex-2-ene-1,5-diol is sourced from PubChem (CID 90736325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).