[[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane

C13H15F4O2P — CID 177218396

IUPAC[[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane
SMILESCOc1c(C2COC(C(F)(F)P)C2C)ccc(F)c1F
InChIInChI=1S/C13H15F4O2P/c1-6-8(5-19-12(6)13(16,17)20)7-3-4-9(14)10(15)11(7)18-2/h3-4,6,8,12H,5,20H2,1-2H3
InChIKeyJWOWOELVFDNPBQ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.56
Rot. Bonds3

About [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane

[[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane (PubChem CID 177218396) has the molecular formula C13H15F4O2P and a molecular weight of 310.23 g/mol. Its IUPAC name is [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane.

Molecular Properties

Compound Name[[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane
PubChem CID177218396
Molecular FormulaC13H15F4O2P
Molecular Weight310.23 g/mol
Exact Mass310.07
IUPAC Name[[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane
SMILESCOc1c(C2COC(C(F)(F)P)C2C)ccc(F)c1F
InChIInChI=1S/C13H15F4O2P/c1-6-8(5-19-12(6)13(16,17)20)7-3-4-9(14)10(15)11(7)18-2/h3-4,6,8,12H,5,20H2,1-2H3
InChIKeyJWOWOELVFDNPBQ-UHFFFAOYSA-N
XLogP3.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane 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

4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane
CID 156750267
(2R,3S,4R)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane
CID 175984817
(2S,3S,4S)-4-(3,4-difluoro-2-methoxyphenyl)-3-methyl-2-propan-2-yloxolane
CID 175984804
6-[(3S,4S,5R)-4,5-dimethyloxolan-3-yl]-2,3-difluorophenol
CID 167221232
(2S,3R,4R)-4-(2-ethoxy-3,4-difluorophenyl)-3-methyl-2-(trifluoromethyl)oxolane;4-formamidopyridine-2-carboxamide
CID 156750321
N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]formamide;4-(4-fluoro-2-methoxy-3-methylphenyl)-3-methyl-2-(trifluoromethyl)oxolane
CID 166159007
3-(3,4-difluoro-2-methoxyphenyl)-5-methylthiolane-2-carboxylic acid
CID 176893438
2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
CID 162421197
(2R)-4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyl-2-(trifluoromethyl)oxolane;1H-imidazo[4,5-c]pyridin-4-amine
CID 177218455
4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane
CID 156750193
(2S,3R,5R)-N-(2-acetyl-4-pyridinyl)-5-(1,1-difluoroethyl)-3-(3,4-difluoro-2-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 170407893
(2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane
CID 156545916

Frequently Asked Questions

What is the IUPAC name of [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane?
The IUPAC name of [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane (CID 177218396) is [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane.
What is the SMILES notation for [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane?
The canonical SMILES for [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane is COc1c(C2COC(C(F)(F)P)C2C)ccc(F)c1F.
What is the InChIKey of [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane?
The InChIKey is JWOWOELVFDNPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4O2P/c1-6-8(5-19-12(6)13(16,17)20)7-3-4-9(14)10(15)11(7)18-2/h3-4,6,8,12H,5,20H2,1-2H3.
What are the key properties of [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane?
[[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane has a molecular weight of 310.23 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane is sourced from PubChem (CID 177218396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).