[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane

C20H17F2P — CID 170132292

IUPAC[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane
SMILESCCc1ccc(-c2ccc(-c3ccc(P)cc3F)cc2F)cc1
InChIInChI=1S/C20H17F2P/c1-2-13-3-5-14(6-4-13)17-9-7-15(11-19(17)21)18-10-8-16(23)12-20(18)22/h3-12H,2,23H2,1H3
InChIKeyGZBYTPCKHQFOMV-UHFFFAOYSA-N
MW326.33 g/mol
LogP5.36
Rot. Bonds3

About [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane

[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane (PubChem CID 170132292) has the molecular formula C20H17F2P and a molecular weight of 326.33 g/mol. Its IUPAC name is [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane.

Molecular Properties

Compound Name[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane
PubChem CID170132292
Molecular FormulaC20H17F2P
Molecular Weight326.33 g/mol
Exact Mass326.10
IUPAC Name[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane
SMILESCCc1ccc(-c2ccc(-c3ccc(P)cc3F)cc2F)cc1
InChIInChI=1S/C20H17F2P/c1-2-13-3-5-14(6-4-13)17-9-7-15(11-19(17)21)18-10-8-16(23)12-20(18)22/h3-12H,2,23H2,1H3
InChIKeyGZBYTPCKHQFOMV-UHFFFAOYSA-N
XLogP5.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.33
LogP ≤ 55.36
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-(4-ethylphenyl)-2-fluoro-4-(2-fluoro-4-methylphenyl)benzene
CID 169027138
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
[3-fluoro-4-(4-phosphanylphenyl)phenyl]phosphane
CID 144647906
4-(4-ethylphenyl)-1-(4-ethynylphenyl)-2-fluorobenzene
CID 140891747
6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
CID 139846935
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
CID 67798587
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385
1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 167612803
2,4-difluoro-1-[3-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 165362771

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane?
The IUPAC name of [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane (CID 170132292) is [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane.
What is the SMILES notation for [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane?
The canonical SMILES for [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane is CCc1ccc(-c2ccc(-c3ccc(P)cc3F)cc2F)cc1.
What is the InChIKey of [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane?
The InChIKey is GZBYTPCKHQFOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2P/c1-2-13-3-5-14(6-4-13)17-9-7-15(11-19(17)21)18-10-8-16(23)12-20(18)22/h3-12H,2,23H2,1H3.
What are the key properties of [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane?
[4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane has a molecular weight of 326.33 g/mol, XLogP of 5.36, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-ethylphenyl)-3-fluorophenyl]-3-fluorophenyl]phosphane is sourced from PubChem (CID 170132292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).