CID 175885039

C4H10CaFO2P — CID 175885039

IUPAC—
SMILESCC(C)OP(C)(=O)F.[Ca]
InChIInChI=1S/C4H10FO2P.Ca/c1-4(2)7-8(3,5)6;/h4H,1-3H3;
InChIKeyQYJDNHFBVUSLFL-UHFFFAOYSA-N
MW180.17 g/mol
LogP1.82
Rot. Bonds2

About CID 175885039

CID 175885039 (PubChem CID 175885039) has the molecular formula C4H10CaFO2P and a molecular weight of 180.17 g/mol.

Molecular Properties

Compound NameCID 175885039
PubChem CID175885039
Molecular FormulaC4H10CaFO2P
Molecular Weight180.17 g/mol
Exact Mass180.00
IUPAC Name—
SMILESCC(C)OP(C)(=O)F.[Ca]
InChIInChI=1S/C4H10FO2P.Ca/c1-4(2)7-8(3,5)6;/h4H,1-3H3;
InChIKeyQYJDNHFBVUSLFL-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 175885039 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 175885039?
The IUPAC name of CID 175885039 (CID 175885039) is not available.
What is the SMILES notation for CID 175885039?
The canonical SMILES for CID 175885039 is CC(C)OP(C)(=O)F.[Ca].
What is the InChIKey of CID 175885039?
The InChIKey is QYJDNHFBVUSLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FO2P.Ca/c1-4(2)7-8(3,5)6;/h4H,1-3H3;.
What are the key properties of CID 175885039?
CID 175885039 has a molecular weight of 180.17 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175885039 is sourced from PubChem (CID 175885039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).