[2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane

C10H10F5P — CID 176962658

IUPAC[2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane
SMILESCC(C)c1c(F)cc(P)c(F)c1C(F)(F)F
InChIInChI=1S/C10H10F5P/c1-4(2)7-5(11)3-6(16)9(12)8(7)10(13,14)15/h3-4H,16H2,1-2H3
InChIKeySVTJIZZPOMAORT-UHFFFAOYSA-N
MW256.15 g/mol
LogP3.61
Rot. Bonds1

About [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane

[2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane (PubChem CID 176962658) has the molecular formula C10H10F5P and a molecular weight of 256.15 g/mol. Its IUPAC name is [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name[2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane
PubChem CID176962658
Molecular FormulaC10H10F5P
Molecular Weight256.15 g/mol
Exact Mass256.04
IUPAC Name[2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane
SMILESCC(C)c1c(F)cc(P)c(F)c1C(F)(F)F
InChIInChI=1S/C10H10F5P/c1-4(2)7-5(11)3-6(16)9(12)8(7)10(13,14)15/h3-4H,16H2,1-2H3
InChIKeySVTJIZZPOMAORT-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane (CID 176962658) is [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane is CC(C)c1c(F)cc(P)c(F)c1C(F)(F)F.
What is the InChIKey of [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane?
The InChIKey is SVTJIZZPOMAORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5P/c1-4(2)7-5(11)3-6(16)9(12)8(7)10(13,14)15/h3-4H,16H2,1-2H3.
What are the key properties of [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane?
[2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane has a molecular weight of 256.15 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 176962658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).