bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium

C16H14F4O3P+ — CID 175430868

IUPACbis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium
SMILESO=[P+](OCc1ccc(C(F)F)cc1)OCc1ccc(C(F)F)cc1
InChIInChI=1S/C16H14F4O3P/c17-15(18)13-5-1-11(2-6-13)9-22-24(21)23-10-12-3-7-14(8-4-12)16(19)20/h1-8,15-16H,9-10H2/q+1
InChIKeyGISNTYGWQZNCCT-UHFFFAOYSA-N
MW361.25 g/mol
LogP5.95
Rot. Bonds8

About bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium

bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium (PubChem CID 175430868) has the molecular formula C16H14F4O3P+ and a molecular weight of 361.25 g/mol. Its IUPAC name is bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namebis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium
PubChem CID175430868
Molecular FormulaC16H14F4O3P+
Molecular Weight361.25 g/mol
Exact Mass361.06
IUPAC Namebis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium
SMILESO=[P+](OCc1ccc(C(F)F)cc1)OCc1ccc(C(F)F)cc1
InChIInChI=1S/C16H14F4O3P/c17-15(18)13-5-1-11(2-6-13)9-22-24(21)23-10-12-3-7-14(8-4-12)16(19)20/h1-8,15-16H,9-10H2/q+1
InChIKeyGISNTYGWQZNCCT-UHFFFAOYSA-N
XLogP5.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.25
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(difluoromethyl)phenyl]methoxy-hydroxy-oxophosphanium
CID 175430869
O-[[4-(difluoromethyl)phenyl]methyl]hydroxylamine
CID 117276972
dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011
oxo-(2-phenylethoxy)-phenylmethoxyphosphanium
CID 70073621
2-[4-(difluoromethyl)phenyl]acetic acid
CID 55268127
1-[4-(difluoromethyl)phenyl]-N-methoxymethanamine
CID 82706582
1-[4-(difluoromethyl)phenyl]-N-methylmethanamine
CID 84654057
methyl (3R)-3-amino-3-[4-(difluoromethyl)phenyl]propanoate
CID 79018359
1-[4-(difluoromethyl)phenyl]-N-methylmethanesulfonamide
CID 126637013
methyl 2-[4-(difluoromethyl)phenyl]-3-hydroxypropanoate
CID 168947878
1-[4-(difluoromethyl)phenyl]-N-ethoxymethanamine
CID 82707188
5-bromo-3-chloro-2-[[4-(difluoromethyl)phenyl]methoxy]pyridine
CID 171814189

Frequently Asked Questions

What is the IUPAC name of bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium?
The IUPAC name of bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium (CID 175430868) is bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium.
What is the SMILES notation for bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium?
The canonical SMILES for bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium is O=[P+](OCc1ccc(C(F)F)cc1)OCc1ccc(C(F)F)cc1.
What is the InChIKey of bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium?
The InChIKey is GISNTYGWQZNCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O3P/c17-15(18)13-5-1-11(2-6-13)9-22-24(21)23-10-12-3-7-14(8-4-12)16(19)20/h1-8,15-16H,9-10H2/q+1.
What are the key properties of bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium?
bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium has a molecular weight of 361.25 g/mol, XLogP of 5.95, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[4-(difluoromethyl)phenyl]methoxy]-oxophosphanium is sourced from PubChem (CID 175430868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).