(2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol

C7H13FO2 — CID 11263575

IUPAC(2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol
SMILESC=C(C)C[C@@H](O)[C@@H](F)CO
InChIInChI=1S/C7H13FO2/c1-5(2)3-7(10)6(8)4-9/h6-7,9-10H,1,3-4H2,2H3/t6-,7+/m0/s1
InChIKeyUSKVERHPXPMRET-NKWVEPMBSA-N
MW148.18 g/mol
LogP0.64
Rot. Bonds4

About (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol

(2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol (PubChem CID 11263575) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol.

Molecular Properties

Compound Name(2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol
PubChem CID11263575
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name(2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol
SMILESC=C(C)C[C@@H](O)[C@@H](F)CO
InChIInChI=1S/C7H13FO2/c1-5(2)3-7(10)6(8)4-9/h6-7,9-10H,1,3-4H2,2H3/t6-,7+/m0/s1
InChIKeyUSKVERHPXPMRET-NKWVEPMBSA-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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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol?
The IUPAC name of (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol (CID 11263575) is (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol.
What is the SMILES notation for (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol?
The canonical SMILES for (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol is C=C(C)C[C@@H](O)[C@@H](F)CO.
What is the InChIKey of (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol?
The InChIKey is USKVERHPXPMRET-NKWVEPMBSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5(2)3-7(10)6(8)4-9/h6-7,9-10H,1,3-4H2,2H3/t6-,7+/m0/s1.
What are the key properties of (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol?
(2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-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 (2S,3R)-2-fluoro-5-methylhex-5-ene-1,3-diol is sourced from PubChem (CID 11263575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).