alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate

C4H8AlFN2O3 — CID 174923664

IUPACalumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate
SMILESO.O=c1[nH]cc(F)c(=O)[nH]1.[AlH3]
InChIInChI=1S/C4H3FN2O2.Al.H2O.3H/c5-2-1-6-4(9)7-3(2)8;;;;;/h1H,(H2,6,7,8,9);;1H2;;;
InChIKeyPMFVPFRXYFBIGJ-UHFFFAOYSA-N
MW178.10 g/mol
LogP-2.81
Rot. Bonds

About alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate

alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate (PubChem CID 174923664) has the molecular formula C4H8AlFN2O3 and a molecular weight of 178.10 g/mol. Its IUPAC name is alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate.

Molecular Properties

Compound Namealumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate
PubChem CID174923664
Molecular FormulaC4H8AlFN2O3
Molecular Weight178.10 g/mol
Exact Mass178.03
IUPAC Namealumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate
SMILESO.O=c1[nH]cc(F)c(=O)[nH]1.[AlH3]
InChIInChI=1S/C4H3FN2O2.Al.H2O.3H/c5-2-1-6-4(9)7-3(2)8;;;;;/h1H,(H2,6,7,8,9);;1H2;;;
InChIKeyPMFVPFRXYFBIGJ-UHFFFAOYSA-N
XLogP-2.81
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.10
LogP ≤ 5-2.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-1H-pyrimidine-2,4-dione;furan
CID 67100299
2-chloro-3-methyloxiran-2-ol;5-fluoro-1H-pyrimidine-2,4-dione
CID 174524151
5-fluoro-1H-pyrimidine-2,4-dione;10H-phenoxazine
CID 159111962
5-hydroxy-1H-pyrimidine-2,4-dione;hydrate
CID 175729684
5-fluoro-1H-pyrimidine-2,4-dione;hexa-2,4-dienamide
CID 173137049
5-fluoro-1H-pyrimidine-2,4-dione;oct-1-ene
CID 118491878
ethyl 2-cyanoprop-2-enoate;5-fluoro-1H-pyrimidine-2,4-dione
CID 174679785
5-(2,6-difluorophenyl)-1H-pyrimidine-2,4-dione
CID 53222285
CID 101090583
CID 101090583
5-chloro-1H-pyrimidine-2,4-dione
CID 15758
5-iodo-1H-pyrimidine-2,4-dione
CID 66645095
5-(3,5-difluorophenyl)-1H-pyrimidine-2,4-dione
CID 53222281

Frequently Asked Questions

What is the IUPAC name of alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate?
The IUPAC name of alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate (CID 174923664) is alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate.
What is the SMILES notation for alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate?
The canonical SMILES for alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate is O.O=c1[nH]cc(F)c(=O)[nH]1.[AlH3].
What is the InChIKey of alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate?
The InChIKey is PMFVPFRXYFBIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FN2O2.Al.H2O.3H/c5-2-1-6-4(9)7-3(2)8;;;;;/h1H,(H2,6,7,8,9);;1H2;;;.
What are the key properties of alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate?
alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate has a molecular weight of 178.10 g/mol, XLogP of -2.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;5-fluoro-1H-pyrimidine-2,4-dione;hydrate is sourced from PubChem (CID 174923664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).