3-(2-fluorophenoxy)-2-hydroxypropan-1-olate

C9H10FO3- — CID 45496401

IUPAC3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
SMILES[O-]CC(O)COc1ccccc1F
InChIInChI=1S/C9H10FO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,12H,5-6H2/q-1
InChIKeyDSFWCFFCACHRFN-UHFFFAOYSA-N
MW185.17 g/mol
LogP-0.07
Rot. Bonds4

About 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate

3-(2-fluorophenoxy)-2-hydroxypropan-1-olate (PubChem CID 45496401) has the molecular formula C9H10FO3- and a molecular weight of 185.17 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
PubChem CID45496401
Molecular FormulaC9H10FO3-
Molecular Weight185.17 g/mol
Exact Mass185.06
IUPAC Name3-(2-fluorophenoxy)-2-hydroxypropan-1-olate
SMILES[O-]CC(O)COc1ccccc1F
InChIInChI=1S/C9H10FO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,12H,5-6H2/q-1
InChIKeyDSFWCFFCACHRFN-UHFFFAOYSA-N
XLogP-0.07
TPSA52.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminophenoxy)-3-(2-fluorophenoxy)propan-2-ol
CID 62269719
1-[2-(aminomethyl)phenoxy]-3-(2-fluorophenoxy)propan-2-ol
CID 43531496
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
1-(2-fluorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635222
1-(2-fluorophenoxy)-3-(pentan-3-ylamino)propan-2-ol
CID 60635358
2-fluoro-3-(2-fluorophenoxy)propan-1-amine
CID 105442441
1-(2,3-dimethylbutylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 64569714
1-(2-bromoprop-2-enylamino)-3-(2-fluorophenoxy)propan-2-ol
CID 113465059
ethene;(2R)-1-(2-fluorophenoxy)-5-methylheptan-2-ol
CID 142043711
2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]cyclohexan-1-ol
CID 62359837
4-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]butan-2-ol
CID 64910592
(2S)-1-(2-fluorophenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 2330413

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate?
The IUPAC name of 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate (CID 45496401) is 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate.
What is the SMILES notation for 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate?
The canonical SMILES for 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate is [O-]CC(O)COc1ccccc1F.
What is the InChIKey of 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate?
The InChIKey is DSFWCFFCACHRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FO3/c10-8-3-1-2-4-9(8)13-6-7(12)5-11/h1-4,7,12H,5-6H2/q-1.
What are the key properties of 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate?
3-(2-fluorophenoxy)-2-hydroxypropan-1-olate has a molecular weight of 185.17 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-2-hydroxypropan-1-olate is sourced from PubChem (CID 45496401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).