[(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane

C27H21F6P — CID 102469659

IUPAC[(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)[C@H]2[C@H]3C=C(c4ccccc4)[C@@H]2CC3)cc1
InChIInChI=1S/C27H21F6P/c28-26(29,30)19-7-11-21(12-8-19)34(22-13-9-20(10-14-22)27(31,32)33)25-18-6-15-23(25)24(16-18)17-4-2-1-3-5-17/h1-5,7-14,16,18,23,25H,6,15H2/t18-,23+,25+/m1/s1
InChIKeyMZXPUMPTVBVZGC-DPQOWFAMSA-N
MW490.43 g/mol
LogP7.65
Rot. Bonds4

About [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane

[(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane (PubChem CID 102469659) has the molecular formula C27H21F6P and a molecular weight of 490.43 g/mol. Its IUPAC name is [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name[(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane
PubChem CID102469659
Molecular FormulaC27H21F6P
Molecular Weight490.43 g/mol
Exact Mass490.13
IUPAC Name[(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)[C@H]2[C@H]3C=C(c4ccccc4)[C@@H]2CC3)cc1
InChIInChI=1S/C27H21F6P/c28-26(29,30)19-7-11-21(12-8-19)34(22-13-9-20(10-14-22)27(31,32)33)25-18-6-15-23(25)24(16-18)17-4-2-1-3-5-17/h1-5,7-14,16,18,23,25H,6,15H2/t18-,23+,25+/m1/s1
InChIKeyMZXPUMPTVBVZGC-DPQOWFAMSA-N
XLogP7.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 57.65
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

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CID 171928889
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CID 68719725
1-[2-bis[4-(trifluoromethyl)phenyl]phosphanylcyclopentyl]ethyl-ditert-butylphosphane
CID 76667487
[(1S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
CID 140562071
[(1S,2S)-2-[1-bis[4-(trifluoromethyl)phenyl]phosphanylethyl]cyclopentyl]-ditert-butylphosphane
CID 166703176
phenyl-bis[4-(trifluoromethyl)phenyl]sulfanium bromide
CID 86043947
2,3,6-triphenyl-4,5-bis[4-(trifluoromethyl)phenyl]pyridine
CID 102130644

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane (CID 102469659) is [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane is FC(F)(F)c1ccc(P(c2ccc(C(F)(F)F)cc2)[C@H]2[C@H]3C=C(c4ccccc4)[C@@H]2CC3)cc1.
What is the InChIKey of [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is MZXPUMPTVBVZGC-DPQOWFAMSA-N. The full InChI is InChI=1S/C27H21F6P/c28-26(29,30)19-7-11-21(12-8-19)34(22-13-9-20(10-14-22)27(31,32)33)25-18-6-15-23(25)24(16-18)17-4-2-1-3-5-17/h1-5,7-14,16,18,23,25H,6,15H2/t18-,23+,25+/m1/s1.
What are the key properties of [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane?
[(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 490.43 g/mol, XLogP of 7.65, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,7S)-2-phenyl-7-bicyclo[2.2.1]hept-2-enyl]-bis[4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 102469659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).