[2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite

C16H26FO3P — CID 70237708

IUPAC[2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite
SMILESCCC(C)(C)c1ccc(OP(O)OF)c(C(C)(C)CC)c1
InChIInChI=1S/C16H26FO3P/c1-7-15(3,4)12-9-10-14(19-21(18)20-17)13(11-12)16(5,6)8-2/h9-11,18H,7-8H2,1-6H3
InChIKeyIZJLRPMHUPCEQK-UHFFFAOYSA-N
MW316.35 g/mol
LogP5.56
Rot. Bonds7

About [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite

[2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite (PubChem CID 70237708) has the molecular formula C16H26FO3P and a molecular weight of 316.35 g/mol. Its IUPAC name is [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite.

Molecular Properties

Compound Name[2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite
PubChem CID70237708
Molecular FormulaC16H26FO3P
Molecular Weight316.35 g/mol
Exact Mass316.16
IUPAC Name[2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite
SMILESCCC(C)(C)c1ccc(OP(O)OF)c(C(C)(C)CC)c1
InChIInChI=1S/C16H26FO3P/c1-7-15(3,4)12-9-10-14(19-21(18)20-17)13(11-12)16(5,6)8-2/h9-11,18H,7-8H2,1-6H3
InChIKeyIZJLRPMHUPCEQK-UHFFFAOYSA-N
XLogP5.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.35
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite 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

[2,4-bis(2-methylbutan-2-yl)phenyl] dihydrogen phosphite
CID 19899887
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]propan-1-ol
CID 18957392
1-butoxy-2,4-bis(2-methylbutan-2-yl)benzene;ethane
CID 145478769
1-(4-methoxybutoxy)-2,4-bis(2-methylbutan-2-yl)benzene
CID 145479204
3-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-2-ol
CID 163614465
4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butane-1-sulfonic acid
CID 170848277
1-methyl-2,4-bis(2-methylbutan-2-yl)benzene
CID 20667880
[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]phenyl]hydrazine
CID 91743230
[2,4-bis(2-methylbutan-2-yl)phenyl] 3,5-ditert-butylbenzoate
CID 57060342
tris[4-methyl-2-(2-methylbutan-2-yl)phenyl] phosphite
CID 66925984
[2,4-bis(2-methylbutan-2-yl)phenyl] 4-hydroxybenzoate
CID 20611974
1-O-[2,4-bis(2-methylbutan-2-yl)phenyl] 2-O-[2-(2-methylbutan-2-yl)phenyl] benzene-1,2-dicarboxylate
CID 21340048

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite?
The IUPAC name of [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite (CID 70237708) is [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite.
What is the SMILES notation for [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite?
The canonical SMILES for [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite is CCC(C)(C)c1ccc(OP(O)OF)c(C(C)(C)CC)c1.
What is the InChIKey of [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite?
The InChIKey is IZJLRPMHUPCEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FO3P/c1-7-15(3,4)12-9-10-14(19-21(18)20-17)13(11-12)16(5,6)8-2/h9-11,18H,7-8H2,1-6H3.
What are the key properties of [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite?
[2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite has a molecular weight of 316.35 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(2-methylbutan-2-yl)phenyl] fluoro hydrogen phosphite is sourced from PubChem (CID 70237708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).