carbonic acid;fluoroform;indigane

C2H6F3InO3 — CID 174753992

IUPACcarbonic acid;fluoroform;indigane
SMILESFC(F)F.O=C(O)O.[InH3]
InChIInChI=1S/CHF3.CH2O3.In.3H/c2*2-1(3)4;;;;/h1H;(H2,2,3,4);;;;
InChIKeyPHICYSRQHOHCPQ-UHFFFAOYSA-N
MW249.88 g/mol
LogP0.22
Rot. Bonds

About carbonic acid;fluoroform;indigane

carbonic acid;fluoroform;indigane (PubChem CID 174753992) has the molecular formula C2H6F3InO3 and a molecular weight of 249.88 g/mol. Its IUPAC name is carbonic acid;fluoroform;indigane.

Molecular Properties

Compound Namecarbonic acid;fluoroform;indigane
PubChem CID174753992
Molecular FormulaC2H6F3InO3
Molecular Weight249.88 g/mol
Exact Mass249.93
IUPAC Namecarbonic acid;fluoroform;indigane
SMILESFC(F)F.O=C(O)O.[InH3]
InChIInChI=1S/CHF3.CH2O3.In.3H/c2*2-1(3)4;;;;/h1H;(H2,2,3,4);;;;
InChIKeyPHICYSRQHOHCPQ-UHFFFAOYSA-N
XLogP0.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.88
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;fluoroform;indigane?
The IUPAC name of carbonic acid;fluoroform;indigane (CID 174753992) is carbonic acid;fluoroform;indigane.
What is the SMILES notation for carbonic acid;fluoroform;indigane?
The canonical SMILES for carbonic acid;fluoroform;indigane is FC(F)F.O=C(O)O.[InH3].
What is the InChIKey of carbonic acid;fluoroform;indigane?
The InChIKey is PHICYSRQHOHCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3.CH2O3.In.3H/c2*2-1(3)4;;;;/h1H;(H2,2,3,4);;;;.
What are the key properties of carbonic acid;fluoroform;indigane?
carbonic acid;fluoroform;indigane has a molecular weight of 249.88 g/mol, XLogP of 0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;fluoroform;indigane is sourced from PubChem (CID 174753992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).