[3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane

C9H5F6OP — CID 126626786

IUPAC[3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane
SMILESFC(F)=CC(F)(F)Oc1c(F)cc(P)cc1F
InChIInChI=1S/C9H5F6OP/c10-5-1-4(17)2-6(11)8(5)16-9(14,15)3-7(12)13/h1-3H,17H2
InChIKeyVXBCFSSIROWNFL-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.22
Rot. Bonds3

About [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane

[3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane (PubChem CID 126626786) has the molecular formula C9H5F6OP and a molecular weight of 274.10 g/mol. Its IUPAC name is [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane.

Molecular Properties

Compound Name[3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane
PubChem CID126626786
Molecular FormulaC9H5F6OP
Molecular Weight274.10 g/mol
Exact Mass274.00
IUPAC Name[3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane
SMILESFC(F)=CC(F)(F)Oc1c(F)cc(P)cc1F
InChIInChI=1S/C9H5F6OP/c10-5-1-4(17)2-6(11)8(5)16-9(14,15)3-7(12)13/h1-3H,17H2
InChIKeyVXBCFSSIROWNFL-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 67615
CID 67615
CID 67692
CID 67692
CID 68010
CID 68010
CID 68015
CID 68015
CID 68018
CID 68018
CID 136291
CID 136291
CID 737156
CID 737156
CID 67614
CID 67614
CID 67698
CID 67698
CID 136301
CID 136301
CID 2782939
CID 2782939
CID 2782928
CID 2782928

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane?
The IUPAC name of [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane (CID 126626786) is [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane.
What is the SMILES notation for [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane?
The canonical SMILES for [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane is FC(F)=CC(F)(F)Oc1c(F)cc(P)cc1F.
What is the InChIKey of [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane?
The InChIKey is VXBCFSSIROWNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6OP/c10-5-1-4(17)2-6(11)8(5)16-9(14,15)3-7(12)13/h1-3H,17H2.
What are the key properties of [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane?
[3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane has a molecular weight of 274.10 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(1,1,3,3-tetrafluoroprop-2-enoxy)phenyl]phosphane is sourced from PubChem (CID 126626786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).