bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane

C28H27BrFOP — CID 140554988

IUPACbromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane
SMILESFc1ccc(OCCCCP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27BrFOP/c29-32(26-12-4-1-5-13-26,27-14-6-2-7-15-27,28-16-8-3-9-17-28)23-11-10-22-31-25-20-18-24(30)19-21-25/h1-9,12-21H,10-11,22-23H2
InChIKeyTVHUEHVPMXAUCX-UHFFFAOYSA-N
MW509.40 g/mol
LogP6.82
Rot. Bonds9

About bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane

bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane (PubChem CID 140554988) has the molecular formula C28H27BrFOP and a molecular weight of 509.40 g/mol. Its IUPAC name is bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namebromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane
PubChem CID140554988
Molecular FormulaC28H27BrFOP
Molecular Weight509.40 g/mol
Exact Mass508.10
IUPAC Namebromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane
SMILESFc1ccc(OCCCCP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H27BrFOP/c29-32(26-12-4-1-5-13-26,27-14-6-2-7-15-27,28-16-8-3-9-17-28)23-11-10-22-31-25-20-18-24(30)19-21-25/h1-9,12-21H,10-11,22-23H2
InChIKeyTVHUEHVPMXAUCX-UHFFFAOYSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.40
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[8-[bromo(triphenyl)-λ5-phosphanyl]octoxy]phenyl]-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 156874259
4-[4-[5-[bromo(triphenyl)-λ5-phosphanyl]pentoxy]phenyl]-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 156874235
4-[4-[4-[bromo(triphenyl)-λ5-phosphanyl]butoxy]phenyl]-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride
CID 156874218
4-[4-[10-[bromo(triphenyl)-λ5-phosphanyl]decoxy]phenyl]-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 156874306
4-[4-[7-[bromo(triphenyl)-λ5-phosphanyl]heptoxy]phenyl]-6-N,6-N-dimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;hydrochloride
CID 156874229
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
CID 140662780
2-[4-[5-[bromo(triphenyl)-λ5-phosphanyl]pentoxy]phenyl]-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 156874200
10-[bromo(triphenyl)-λ5-phosphanyl]decan-1-amine;hydrochloride
CID 171509465
2-[4-[7-[bromo(triphenyl)-λ5-phosphanyl]heptoxy]phenyl]-6-(2-phenylethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-amine;hydrochloride
CID 156874329
3-(4-fluorophenoxy)propylazanium
CID 42036216
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715

Frequently Asked Questions

What is the IUPAC name of bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane?
The IUPAC name of bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane (CID 140554988) is bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane?
The canonical SMILES for bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane is Fc1ccc(OCCCCP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane?
The InChIKey is TVHUEHVPMXAUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27BrFOP/c29-32(26-12-4-1-5-13-26,27-14-6-2-7-15-27,28-16-8-3-9-17-28)23-11-10-22-31-25-20-18-24(30)19-21-25/h1-9,12-21H,10-11,22-23H2.
What are the key properties of bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane?
bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane has a molecular weight of 509.40 g/mol, XLogP of 6.82, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromo-[4-(4-fluorophenoxy)butyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 140554988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).