ethane-1,2-diol;2-fluoropropanamide

C5H12FNO3 — CID 175562566

IUPACethane-1,2-diol;2-fluoropropanamide
SMILESCC(F)C(N)=O.OCCO
InChIInChI=1S/C3H6FNO.C2H6O2/c1-2(4)3(5)6;3-1-2-4/h2H,1H3,(H2,5,6);3-4H,1-2H2
InChIKeyHMJAYWZKJBHTAL-UHFFFAOYSA-N
MW153.15 g/mol
LogP-1.20
Rot. Bonds2

About ethane-1,2-diol;2-fluoropropanamide

ethane-1,2-diol;2-fluoropropanamide (PubChem CID 175562566) has the molecular formula C5H12FNO3 and a molecular weight of 153.15 g/mol. Its IUPAC name is ethane-1,2-diol;2-fluoropropanamide.

Molecular Properties

Compound Nameethane-1,2-diol;2-fluoropropanamide
PubChem CID175562566
Molecular FormulaC5H12FNO3
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Nameethane-1,2-diol;2-fluoropropanamide
SMILESCC(F)C(N)=O.OCCO
InChIInChI=1S/C3H6FNO.C2H6O2/c1-2(4)3(5)6;3-1-2-4/h2H,1H3,(H2,5,6);3-4H,1-2H2
InChIKeyHMJAYWZKJBHTAL-UHFFFAOYSA-N
XLogP-1.20
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-fluoropropanamide
CID 129374964
(2R)-4-hydroxy-2-methylbutanamide
CID 89453282
2,2-difluoroacetamide
CID 2782321
ethane-1,1-diamine;ethane-1,2-diol
CID 88638607
ethane-1,2-diol;propan-2-ol;propan-2-one
CID 129307519
2-fluoro-3-hydroxybutanamide
CID 152681723
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
butan-1-ol;ethane;2-methylpropanamide
CID 142541326
2-fluoro-5-methyl-3-oxohexanamide
CID 174880296
(3R)-3-fluorobutan-2-one
CID 638120
2,3-dimethylbutanediamide
CID 55281411
ethane-1,2-diol carbamate
CID 18944668

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;2-fluoropropanamide?
The IUPAC name of ethane-1,2-diol;2-fluoropropanamide (CID 175562566) is ethane-1,2-diol;2-fluoropropanamide.
What is the SMILES notation for ethane-1,2-diol;2-fluoropropanamide?
The canonical SMILES for ethane-1,2-diol;2-fluoropropanamide is CC(F)C(N)=O.OCCO.
What is the InChIKey of ethane-1,2-diol;2-fluoropropanamide?
The InChIKey is HMJAYWZKJBHTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNO.C2H6O2/c1-2(4)3(5)6;3-1-2-4/h2H,1H3,(H2,5,6);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;2-fluoropropanamide?
ethane-1,2-diol;2-fluoropropanamide has a molecular weight of 153.15 g/mol, XLogP of -1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;2-fluoropropanamide is sourced from PubChem (CID 175562566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).