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

C19H22F6NOP — CID 58644962

IUPAC[3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane
SMILESCC(C)C1COC(C2CCCC2Pc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C19H22F6NOP/c1-10(2)15-9-27-17(26-15)14-4-3-5-16(14)28-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h6-8,10,14-16,28H,3-5,9H2,1-2H3
InChIKeyXSLUWTSMLISXPE-UHFFFAOYSA-N
MW425.35 g/mol
LogP5.65
Rot. Bonds4

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

[3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane (PubChem CID 58644962) has the molecular formula C19H22F6NOP and a molecular weight of 425.35 g/mol. Its IUPAC name is [3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane.

Molecular Properties

Compound Name[3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane
PubChem CID58644962
Molecular FormulaC19H22F6NOP
Molecular Weight425.35 g/mol
Exact Mass425.13
IUPAC Name[3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane
SMILESCC(C)C1COC(C2CCCC2Pc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N1
InChIInChI=1S/C19H22F6NOP/c1-10(2)15-9-27-17(26-15)14-4-3-5-16(14)28-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h6-8,10,14-16,28H,3-5,9H2,1-2H3
InChIKeyXSLUWTSMLISXPE-UHFFFAOYSA-N
XLogP5.65
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.35
LogP ≤ 55.65
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-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane?
The IUPAC name of [3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane (CID 58644962) is [3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane.
What is the SMILES notation for [3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane?
The canonical SMILES for [3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane is CC(C)C1COC(C2CCCC2Pc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=N1.
What is the InChIKey of [3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane?
The InChIKey is XSLUWTSMLISXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F6NOP/c1-10(2)15-9-27-17(26-15)14-4-3-5-16(14)28-13-7-11(18(20,21)22)6-12(8-13)19(23,24)25/h6-8,10,14-16,28H,3-5,9H2,1-2H3.
What are the key properties of [3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane?
[3,5-bis(trifluoromethyl)phenyl]-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane has a molecular weight of 425.35 g/mol, XLogP of 5.65, 4 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-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)cyclopentyl]phosphane is sourced from PubChem (CID 58644962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).