(4,5-ditert-butyl-2-fluorophenyl)phosphane

C14H22FP — CID 166829962

IUPAC(4,5-ditert-butyl-2-fluorophenyl)phosphane
SMILESCC(C)(C)c1cc(F)c(P)cc1C(C)(C)C
InChIInChI=1S/C14H22FP/c1-13(2,3)9-7-11(15)12(16)8-10(9)14(4,5)6/h7-8H,16H2,1-6H3
InChIKeyFDNMIUQPEFZVHP-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.92
Rot. Bonds

About (4,5-ditert-butyl-2-fluorophenyl)phosphane

(4,5-ditert-butyl-2-fluorophenyl)phosphane (PubChem CID 166829962) has the molecular formula C14H22FP and a molecular weight of 240.30 g/mol. Its IUPAC name is (4,5-ditert-butyl-2-fluorophenyl)phosphane.

Molecular Properties

Compound Name(4,5-ditert-butyl-2-fluorophenyl)phosphane
PubChem CID166829962
Molecular FormulaC14H22FP
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name(4,5-ditert-butyl-2-fluorophenyl)phosphane
SMILESCC(C)(C)c1cc(F)c(P)cc1C(C)(C)C
InChIInChI=1S/C14H22FP/c1-13(2,3)9-7-11(15)12(16)8-10(9)14(4,5)6/h7-8H,16H2,1-6H3
InChIKeyFDNMIUQPEFZVHP-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (4,5-ditert-butyl-2-fluorophenyl)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

1,2-ditert-butyl-4-chloro-5-fluorobenzene
CID 130260554
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
2-tert-butyl-4-chloro-1-fluorobenzene
CID 58745497
1-tert-butyl-4-fluoro-2,5-dimethylbenzene
CID 58173964
1-tert-butyl-2,5-difluoro-4-(2,5,5-trimethylhexan-2-yl)benzene
CID 167219612
2,4-difluoro-5-phosphanylbenzaldehyde
CID 169189321
1-bromo-5-tert-butyl-2,4-difluorobenzene
CID 153434868
CID 101355252
CID 101355252
3,4-ditert-butylbenzenethiol
CID 69269154
2,6-ditert-butyl-4-fluoroaniline
CID 14460942
1,3-ditert-butyl-2-fluoro-5-iodobenzene
CID 90150782
5-tert-butyl-2-(4-tert-butyl-2,6-difluorophenyl)-1,3-difluorobenzene
CID 177477426

Frequently Asked Questions

What is the IUPAC name of (4,5-ditert-butyl-2-fluorophenyl)phosphane?
The IUPAC name of (4,5-ditert-butyl-2-fluorophenyl)phosphane (CID 166829962) is (4,5-ditert-butyl-2-fluorophenyl)phosphane.
What is the SMILES notation for (4,5-ditert-butyl-2-fluorophenyl)phosphane?
The canonical SMILES for (4,5-ditert-butyl-2-fluorophenyl)phosphane is CC(C)(C)c1cc(F)c(P)cc1C(C)(C)C.
What is the InChIKey of (4,5-ditert-butyl-2-fluorophenyl)phosphane?
The InChIKey is FDNMIUQPEFZVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FP/c1-13(2,3)9-7-11(15)12(16)8-10(9)14(4,5)6/h7-8H,16H2,1-6H3.
What are the key properties of (4,5-ditert-butyl-2-fluorophenyl)phosphane?
(4,5-ditert-butyl-2-fluorophenyl)phosphane has a molecular weight of 240.30 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-ditert-butyl-2-fluorophenyl)phosphane is sourced from PubChem (CID 166829962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).