[3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane

C32H26F6NOP — CID 177406595

IUPAC[3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2-c2ccccc2)=N1
InChIInChI=1S/C32H26F6NOP/c1-20(2)27-19-40-30(39-27)26-13-7-9-15-29(26)41(28-14-8-6-12-25(28)21-10-4-3-5-11-21)24-17-22(31(33,34)35)16-23(18-24)32(36,37)38/h3-18,20,27H,19H2,1-2H3/t27-,41?/m1/s1
InChIKeyZFZWPQMJAPAVPZ-YTAZJQBPSA-N
MW585.53 g/mol
LogP7.95
Rot. Bonds6

About [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane

[3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (PubChem CID 177406595) has the molecular formula C32H26F6NOP and a molecular weight of 585.53 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
PubChem CID177406595
Molecular FormulaC32H26F6NOP
Molecular Weight585.53 g/mol
Exact Mass585.17
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane
SMILESCC(C)[C@H]1COC(c2ccccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2-c2ccccc2)=N1
InChIInChI=1S/C32H26F6NOP/c1-20(2)27-19-40-30(39-27)26-13-7-9-15-29(26)41(28-14-8-6-12-25(28)21-10-4-3-5-11-21)24-17-22(31(33,34)35)16-23(18-24)32(36,37)38/h3-18,20,27H,19H2,1-2H3/t27-,41?/m1/s1
InChIKeyZFZWPQMJAPAVPZ-YTAZJQBPSA-N
XLogP7.95
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.53
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane (CID 177406595) is [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is CC(C)[C@H]1COC(c2ccccc2P(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2-c2ccccc2)=N1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
The InChIKey is ZFZWPQMJAPAVPZ-YTAZJQBPSA-N. The full InChI is InChI=1S/C32H26F6NOP/c1-20(2)27-19-40-30(39-27)26-13-7-9-15-29(26)41(28-14-8-6-12-25(28)21-10-4-3-5-11-21)24-17-22(31(33,34)35)16-23(18-24)32(36,37)38/h3-18,20,27H,19H2,1-2H3/t27-,41?/m1/s1.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane?
[3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane has a molecular weight of 585.53 g/mol, XLogP of 7.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-bis(trifluoromethyl)phenyl]-(2-phenylphenyl)-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phosphane is sourced from PubChem (CID 177406595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).