(2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane

C24H22F5OP — CID 88969075

IUPAC(2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane
SMILESCCC(CC)(Pc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H22F5OP/c1-3-24(4-2,31-23-21(28)19(26)18(25)20(27)22(23)29)16-12-8-9-13-17(16)30-14-15-10-6-5-7-11-15/h5-13,31H,3-4,14H2,1-2H3
InChIKeyGUNNHZHQSBDQLL-UHFFFAOYSA-N
MW452.40 g/mol
LogP6.98
Rot. Bonds8

About (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane

(2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane (PubChem CID 88969075) has the molecular formula C24H22F5OP and a molecular weight of 452.40 g/mol. Its IUPAC name is (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane.

Molecular Properties

Compound Name(2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane
PubChem CID88969075
Molecular FormulaC24H22F5OP
Molecular Weight452.40 g/mol
Exact Mass452.13
IUPAC Name(2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane
SMILESCCC(CC)(Pc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OCc1ccccc1
InChIInChI=1S/C24H22F5OP/c1-3-24(4-2,31-23-21(28)19(26)18(25)20(27)22(23)29)16-12-8-9-13-17(16)30-14-15-10-6-5-7-11-15/h5-13,31H,3-4,14H2,1-2H3
InChIKeyGUNNHZHQSBDQLL-UHFFFAOYSA-N
XLogP6.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.40
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
2-ethyl-2-(2-phenylmethoxyphenyl)butanamide
CID 66688579
1,2-diphenyl-1,2-bis(2-phenylmethoxyphenyl)ethane-1,2-diol
CID 132965988
dimethyl-[[3-methyl-2-[2-(2-phenylmethoxyphenyl)butan-2-ylphosphanyl]phenyl]methyl]phosphane
CID 71039959
2,3-difluoro-1-methyl-4-phenylmethoxybenzene
CID 57470603
1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
ethyl 2-amino-2-(2-phenylmethoxyphenyl)propanoate
CID 5027980
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
2-(5-benzyl-2-phenylmethoxyphenyl)butan-2-yl-methylphosphane
CID 71039912
1-[4-[(2-tert-butylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63496953

Frequently Asked Questions

What is the IUPAC name of (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane?
The IUPAC name of (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane (CID 88969075) is (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane.
What is the SMILES notation for (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane?
The canonical SMILES for (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane is CCC(CC)(Pc1c(F)c(F)c(F)c(F)c1F)c1ccccc1OCc1ccccc1.
What is the InChIKey of (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane?
The InChIKey is GUNNHZHQSBDQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F5OP/c1-3-24(4-2,31-23-21(28)19(26)18(25)20(27)22(23)29)16-12-8-9-13-17(16)30-14-15-10-6-5-7-11-15/h5-13,31H,3-4,14H2,1-2H3.
What are the key properties of (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane?
(2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane has a molecular weight of 452.40 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4,5,6-pentafluorophenyl)-[3-(2-phenylmethoxyphenyl)pentan-3-yl]phosphane is sourced from PubChem (CID 88969075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).