3-fluoro-5-methylhex-5-ene-1,2-diol

C7H13FO2 — CID 72973949

IUPAC3-fluoro-5-methylhex-5-ene-1,2-diol
SMILESC=C(C)CC(F)C(O)CO
InChIInChI=1S/C7H13FO2/c1-5(2)3-6(8)7(10)4-9/h6-7,9-10H,1,3-4H2,2H3
InChIKeyALJSHFUDNXNQJX-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.64
Rot. Bonds4

About 3-fluoro-5-methylhex-5-ene-1,2-diol

3-fluoro-5-methylhex-5-ene-1,2-diol (PubChem CID 72973949) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 3-fluoro-5-methylhex-5-ene-1,2-diol.

Molecular Properties

Compound Name3-fluoro-5-methylhex-5-ene-1,2-diol
PubChem CID72973949
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name3-fluoro-5-methylhex-5-ene-1,2-diol
SMILESC=C(C)CC(F)C(O)CO
InChIInChI=1S/C7H13FO2/c1-5(2)3-6(8)7(10)4-9/h6-7,9-10H,1,3-4H2,2H3
InChIKeyALJSHFUDNXNQJX-UHFFFAOYSA-N
XLogP0.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.64
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

3-fluorohexane-1,2-diol
CID 14685331
1-fluoro-4-methylpent-4-en-2-ol
CID 141111870
1,1,1-trifluoro-4-methylpent-4-en-2-ol
CID 79177366
(4R,6R)-2,8-dimethylnona-1,8-diene-4,6-diol
CID 134964814
2-methyloct-1-ene-4,5-diol
CID 103454915
1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792
ethane;4-methyl-2-(methylamino)pent-4-en-1-ol
CID 142030684
(2S,3R,4S,5R)-3,4,5-trichlorohexane-1,2-diol
CID 139115848
2,4-dimethylpent-1-ene;ethane
CID 143336990
6-methylhept-6-ene-2,4-diol
CID 57030596
(2S,3R)-2-fluoro-5-methylhexane-1,3-diol
CID 134933849
4,5-difluoro-2,5-dimethylhept-1-ene
CID 129028446

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-methylhex-5-ene-1,2-diol?
The IUPAC name of 3-fluoro-5-methylhex-5-ene-1,2-diol (CID 72973949) is 3-fluoro-5-methylhex-5-ene-1,2-diol.
What is the SMILES notation for 3-fluoro-5-methylhex-5-ene-1,2-diol?
The canonical SMILES for 3-fluoro-5-methylhex-5-ene-1,2-diol is C=C(C)CC(F)C(O)CO.
What is the InChIKey of 3-fluoro-5-methylhex-5-ene-1,2-diol?
The InChIKey is ALJSHFUDNXNQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5(2)3-6(8)7(10)4-9/h6-7,9-10H,1,3-4H2,2H3.
What are the key properties of 3-fluoro-5-methylhex-5-ene-1,2-diol?
3-fluoro-5-methylhex-5-ene-1,2-diol has a molecular weight of 148.18 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-methylhex-5-ene-1,2-diol is sourced from PubChem (CID 72973949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).