1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene

C10H4F9- — CID 139243033

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc([C-](C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C10H4F9/c11-8(12,13)6-3-1-2-5(4-6)7(9(14,15)16)10(17,18)19/h1-4H/q-1
InChIKeyRFQPMKOOKFGAFY-UHFFFAOYSA-N
MW295.12 g/mol
LogP4.75
Rot. Bonds1

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene (PubChem CID 139243033) has the molecular formula C10H4F9- and a molecular weight of 295.12 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene
PubChem CID139243033
Molecular FormulaC10H4F9-
Molecular Weight295.12 g/mol
Exact Mass295.02
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc([C-](C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C10H4F9/c11-8(12,13)6-3-1-2-5(4-6)7(9(14,15)16)10(17,18)19/h1-4H/q-1
InChIKeyRFQPMKOOKFGAFY-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene (CID 139243033) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc([C-](C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene?
The InChIKey is RFQPMKOOKFGAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F9/c11-8(12,13)6-3-1-2-5(4-6)7(9(14,15)16)10(17,18)19/h1-4H/q-1.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene?
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene has a molecular weight of 295.12 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 139243033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).