2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid

C8H15F2O4P — CID 167490958

IUPAC2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid
SMILESOC1CC(CCP(O)O)C(F)(F)CC1O
InChIInChI=1S/C8H15F2O4P/c9-8(10)4-7(12)6(11)3-5(8)1-2-15(13)14/h5-7,11-14H,1-4H2
InChIKeyVQYULFISCWKYIC-UHFFFAOYSA-N
MW244.17 g/mol
LogP0.44
Rot. Bonds3

About 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid

2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid (PubChem CID 167490958) has the molecular formula C8H15F2O4P and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid.

Molecular Properties

Compound Name2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid
PubChem CID167490958
Molecular FormulaC8H15F2O4P
Molecular Weight244.17 g/mol
Exact Mass244.07
IUPAC Name2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid
SMILESOC1CC(CCP(O)O)C(F)(F)CC1O
InChIInChI=1S/C8H15F2O4P/c9-8(10)4-7(12)6(11)3-5(8)1-2-15(13)14/h5-7,11-14H,1-4H2
InChIKeyVQYULFISCWKYIC-UHFFFAOYSA-N
XLogP0.44
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid with MolForge

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

Launch Full Analysis

Related Compounds

trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
2-(5-amino-4,6-dihydroxyoxan-2-yl)ethylphosphonous acid
CID 167490800
(1S,2S,3S,4R)-5,5-difluorocyclohexane-1,2,3,4-tetrol
CID 130891885
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
[(1R)-2,2-difluorocyclopropyl]methanol
CID 7171885
3-(2,2-difluorocyclopropyl)-2-hydroxypropanal
CID 170900342
3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol
CID 129407915
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
2-(2,2-difluorocyclopropyl)acetyl chloride
CID 14458504
(1R)-2-tert-butyl-4,4-difluorocyclopentan-1-ol
CID 167145522
2-(1-amino-2-fluoroethyl)-4,4-difluorocyclopentan-1-ol
CID 71743764
2-[(1R)-2,2-difluorocyclopropyl]ethanamine
CID 97296634

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid?
The IUPAC name of 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid (CID 167490958) is 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid.
What is the SMILES notation for 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid?
The canonical SMILES for 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid is OC1CC(CCP(O)O)C(F)(F)CC1O.
What is the InChIKey of 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid?
The InChIKey is VQYULFISCWKYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2O4P/c9-8(10)4-7(12)6(11)3-5(8)1-2-15(13)14/h5-7,11-14H,1-4H2.
What are the key properties of 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid?
2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid has a molecular weight of 244.17 g/mol, XLogP of 0.44, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-4,5-dihydroxycyclohexyl)ethylphosphonous acid is sourced from PubChem (CID 167490958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).