(1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol

C20H17ClFO2P — CID 101097518

IUPAC(1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H](F)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C20H17ClFO2P/c21-18-14-8-7-13-17(18)19(23)20(22)25(24,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20,23H/t19-,20+/m1/s1
InChIKeyJCNQGPFYYHLRQB-UXHICEINSA-N
MW374.78 g/mol
LogP4.68
Rot. Bonds5

About (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol

(1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol (PubChem CID 101097518) has the molecular formula C20H17ClFO2P and a molecular weight of 374.78 g/mol. Its IUPAC name is (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol.

Molecular Properties

Compound Name(1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol
PubChem CID101097518
Molecular FormulaC20H17ClFO2P
Molecular Weight374.78 g/mol
Exact Mass374.06
IUPAC Name(1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol
SMILESO=P(c1ccccc1)(c1ccccc1)[C@H](F)[C@H](O)c1ccccc1Cl
InChIInChI=1S/C20H17ClFO2P/c21-18-14-8-7-13-17(18)19(23)20(22)25(24,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20,23H/t19-,20+/m1/s1
InChIKeyJCNQGPFYYHLRQB-UXHICEINSA-N
XLogP4.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol
CID 10595603
(R)-(2-chlorophenyl)-diphenylphosphorylmethanol
CID 139074182
(1S,2S)-2-diphenylphosphoryl-2-fluoro-1-pyridin-2-ylethanol
CID 101097525
2-amino-3-(2-chlorophenyl)-3-hydroxypropanoic acid
CID 66206959
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
2-(2-chlorophenyl)-2-fluoroacetamide
CID 115017416
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
(2S,3S)-3-(2-chlorophenyl)-3-hydroxy-2-methyl-1-phenylpropan-1-one
CID 11846439
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
[(S)-amino-(2-chlorophenyl)methyl]phosphonic acid
CID 101067310

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol?
The IUPAC name of (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol (CID 101097518) is (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol.
What is the SMILES notation for (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol?
The canonical SMILES for (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol is O=P(c1ccccc1)(c1ccccc1)[C@H](F)[C@H](O)c1ccccc1Cl.
What is the InChIKey of (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol?
The InChIKey is JCNQGPFYYHLRQB-UXHICEINSA-N. The full InChI is InChI=1S/C20H17ClFO2P/c21-18-14-8-7-13-17(18)19(23)20(22)25(24,15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20,23H/t19-,20+/m1/s1.
What are the key properties of (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol?
(1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol has a molecular weight of 374.78 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(2-chlorophenyl)-2-diphenylphosphoryl-2-fluoroethanol is sourced from PubChem (CID 101097518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).