(3-fluorophenyl)-methyl-triphenyl-λ5-phosphane

C25H22FP — CID 173273131

IUPAC(3-fluorophenyl)-methyl-triphenyl-λ5-phosphane
SMILESCP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C25H22FP/c1-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-12-21(26)20-25/h2-20H,1H3
InChIKeyBJBQYAHTPQAULD-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.61
Rot. Bonds4

About (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane

(3-fluorophenyl)-methyl-triphenyl-λ5-phosphane (PubChem CID 173273131) has the molecular formula C25H22FP and a molecular weight of 372.42 g/mol. Its IUPAC name is (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name(3-fluorophenyl)-methyl-triphenyl-λ5-phosphane
PubChem CID173273131
Molecular FormulaC25H22FP
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Name(3-fluorophenyl)-methyl-triphenyl-λ5-phosphane
SMILESCP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C25H22FP/c1-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-12-21(26)20-25/h2-20H,1H3
InChIKeyBJBQYAHTPQAULD-UHFFFAOYSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluorobenzene;methanol
CID 144994633
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
difluoro-methyl-diphenyl-λ5-phosphane
CID 6421241
1,3-difluorobenzene;1,4-difluorobenzene
CID 159873588
ethane;1-fluoro-3-methylbenzene
CID 123790085
1-fluoro-3-phenylbenzene;phosphane;hydrochloride
CID 175120364
1-(3-fluorophenyl)-3,5-diphenylbenzene
CID 141411457
cobalt;fluorobenzene
CID 139244086
fluorobenzene fluoride
CID 139243602
fluorobenzene;nickel
CID 175250202
chloro-(fluoromethyl)-dimethyl-phenyl-λ5-phosphane
CID 140607648
3-fluoro-N-phenylaniline
CID 2774466

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane?
The IUPAC name of (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane (CID 173273131) is (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane.
What is the SMILES notation for (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane?
The canonical SMILES for (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane is CP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane?
The InChIKey is BJBQYAHTPQAULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FP/c1-27(22-13-5-2-6-14-22,23-15-7-3-8-16-23,24-17-9-4-10-18-24)25-19-11-12-21(26)20-25/h2-20H,1H3.
What are the key properties of (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane?
(3-fluorophenyl)-methyl-triphenyl-λ5-phosphane has a molecular weight of 372.42 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-methyl-triphenyl-λ5-phosphane is sourced from PubChem (CID 173273131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).