2-fluoro-3-(hydroxymethyl)pentane-1,5-diol

C6H13FO3 — CID 19812553

IUPAC2-fluoro-3-(hydroxymethyl)pentane-1,5-diol
SMILESOCCC(CO)C(F)CO
InChIInChI=1S/C6H13FO3/c7-6(4-10)5(3-9)1-2-8/h5-6,8-10H,1-4H2
InChIKeyBBYYRLCOVPTYTD-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.69
Rot. Bonds5

About 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol

2-fluoro-3-(hydroxymethyl)pentane-1,5-diol (PubChem CID 19812553) has the molecular formula C6H13FO3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol.

Molecular Properties

Compound Name2-fluoro-3-(hydroxymethyl)pentane-1,5-diol
PubChem CID19812553
Molecular FormulaC6H13FO3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name2-fluoro-3-(hydroxymethyl)pentane-1,5-diol
SMILESOCCC(CO)C(F)CO
InChIInChI=1S/C6H13FO3/c7-6(4-10)5(3-9)1-2-8/h5-6,8-10H,1-4H2
InChIKeyBBYYRLCOVPTYTD-UHFFFAOYSA-N
XLogP-0.69
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)butane-1,1,4-triol
CID 87270153
2-ethyl-3-(2-hydroxyethyl)pentane-1,5-diol
CID 90222237
2-(hydroxymethyl)pentane-1,3,5-triol
CID 123357506
1-fluoropropane-1,3-diol
CID 91101835
(2S,3S)-2,3-difluorohexan-1-ol
CID 57045572
3-fluoro-4-methylhexan-1-ol
CID 59089278
5-(hydroxymethyl)hept-2-yne-1,4,7-triol
CID 57239510
2-heptacosan-14-ylbutane-1,4-diol
CID 89333214
boric acid;2-(hydroxymethyl)butane-1,4-diol
CID 88776098
(3R)-3-fluoropent-4-en-1-ol
CID 101459116
(2S,3R)-2-fluoro-3-methylheptan-1-ol
CID 130653054
3-cyclopropyl-3-fluoropropan-1-ol
CID 105427136

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol?
The IUPAC name of 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol (CID 19812553) is 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol.
What is the SMILES notation for 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol?
The canonical SMILES for 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol is OCCC(CO)C(F)CO.
What is the InChIKey of 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol?
The InChIKey is BBYYRLCOVPTYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FO3/c7-6(4-10)5(3-9)1-2-8/h5-6,8-10H,1-4H2.
What are the key properties of 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol?
2-fluoro-3-(hydroxymethyl)pentane-1,5-diol has a molecular weight of 152.16 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(hydroxymethyl)pentane-1,5-diol is sourced from PubChem (CID 19812553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).