(2,3-difluorophenyl)-phosphanylmethanediol

C7H7F2O2P — CID 130314726

IUPAC(2,3-difluorophenyl)-phosphanylmethanediol
SMILESOC(O)(P)c1cccc(F)c1F
InChIInChI=1S/C7H7F2O2P/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3,10-11H,12H2
InChIKeyCPQYPZGJDCSDSS-UHFFFAOYSA-N
MW192.10 g/mol
LogP0.93
Rot. Bonds1

About (2,3-difluorophenyl)-phosphanylmethanediol

(2,3-difluorophenyl)-phosphanylmethanediol (PubChem CID 130314726) has the molecular formula C7H7F2O2P and a molecular weight of 192.10 g/mol. Its IUPAC name is (2,3-difluorophenyl)-phosphanylmethanediol.

Molecular Properties

Compound Name(2,3-difluorophenyl)-phosphanylmethanediol
PubChem CID130314726
Molecular FormulaC7H7F2O2P
Molecular Weight192.10 g/mol
Exact Mass192.02
IUPAC Name(2,3-difluorophenyl)-phosphanylmethanediol
SMILESOC(O)(P)c1cccc(F)c1F
InChIInChI=1S/C7H7F2O2P/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3,10-11H,12H2
InChIKeyCPQYPZGJDCSDSS-UHFFFAOYSA-N
XLogP0.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-difluorophenyl)propan-2-ol
CID 10487389
1-[bromo(difluoro)methyl]-2,3-difluorobenzene
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2-(2,3-difluorophenyl)-2-hydroxypropanal
CID 66037904
1-(2,3-difluorophenyl)-1-(2-methylphenyl)ethanol
CID 63988174
2-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83950267
1,2,3-trifluorobenzene
CID 15147
methyl 2,2-bis(2,3-difluorophenyl)-2-hydroxyacetate
CID 22574219
1,2-difluoro-3-(1,1,2-trichloroethyl)benzene
CID 174854875
2-(2-chloro-3-fluorophenyl)propan-2-ol
CID 84661762
2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde
CID 105445622
2-(2,3-difluorophenyl)octan-2-ol
CID 114059370
1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174535656

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-phosphanylmethanediol?
The IUPAC name of (2,3-difluorophenyl)-phosphanylmethanediol (CID 130314726) is (2,3-difluorophenyl)-phosphanylmethanediol.
What is the SMILES notation for (2,3-difluorophenyl)-phosphanylmethanediol?
The canonical SMILES for (2,3-difluorophenyl)-phosphanylmethanediol is OC(O)(P)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-phosphanylmethanediol?
The InChIKey is CPQYPZGJDCSDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2O2P/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3,10-11H,12H2.
What are the key properties of (2,3-difluorophenyl)-phosphanylmethanediol?
(2,3-difluorophenyl)-phosphanylmethanediol has a molecular weight of 192.10 g/mol, XLogP of 0.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-phosphanylmethanediol is sourced from PubChem (CID 130314726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).