CID 172774171

C3H3FLiO3 — CID 172774171

IUPAC—
SMILESO=C1OCC(F)O1.[Li]
InChIInChI=1S/C3H3FO3.Li/c4-2-1-6-3(5)7-2;/h2H,1H2;
InChIKeyNIYPUSDYSKCUCQ-UHFFFAOYSA-N
MW112.99 g/mol
LogP0.07
Rot. Bonds

About CID 172774171

CID 172774171 (PubChem CID 172774171) has the molecular formula C3H3FLiO3 and a molecular weight of 112.99 g/mol.

Molecular Properties

Compound NameCID 172774171
PubChem CID172774171
Molecular FormulaC3H3FLiO3
Molecular Weight112.99 g/mol
Exact Mass113.02
IUPAC Name—
SMILESO=C1OCC(F)O1.[Li]
InChIInChI=1S/C3H3FO3.Li/c4-2-1-6-3(5)7-2;/h2H,1H2;
InChIKeyNIYPUSDYSKCUCQ-UHFFFAOYSA-N
XLogP0.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.99
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
CID 157198471
carbonic acid;dimethyl carbonate;ethene;4-fluoro-1,3-dioxolan-2-one
CID 69479472
1,5,2,4-dioxadithiane 2,2,4,4-tetraoxide;4-fluoro-1,3-dioxolan-2-one
CID 175563848
4,4-dibromo-1,3-dioxolan-2-one;4-fluoro-1,3-dioxolan-2-one
CID 67442671
ethyl methyl carbonate;4-fluoro-1,3-dioxolan-2-one;fluoroethene
CID 162241357
(2-oxo-1,3-dioxolan-4-yl) hypofluorite
CID 118636639
4-prop-1-enoxy-1,3-dioxolan-2-one
CID 139776471
sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
CID 23709778
4,5-dihydroxy-1,3-dioxan-2-one
CID 139816851
(2-oxo-1,3-dioxolan-4-yl) hydrogen carbonate
CID 67999025
4-(1,1,2,2-tetrafluoroethoxy)-1,3-dioxolan-2-one
CID 172751189
(4S)-4-(hydroxymethyl)-1,3-dioxolan-2-one
CID 10080384

Frequently Asked Questions

What is the IUPAC name of CID 172774171?
The IUPAC name of CID 172774171 (CID 172774171) is not available.
What is the SMILES notation for CID 172774171?
The canonical SMILES for CID 172774171 is O=C1OCC(F)O1.[Li].
What is the InChIKey of CID 172774171?
The InChIKey is NIYPUSDYSKCUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3FO3.Li/c4-2-1-6-3(5)7-2;/h2H,1H2;.
What are the key properties of CID 172774171?
CID 172774171 has a molecular weight of 112.99 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172774171 is sourced from PubChem (CID 172774171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).