1-propan-2-yl-2,4-bis(trifluoromethyl)benzene

C11H10F6 — CID 20613821

IUPAC1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H10F6/c1-6(2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17/h3-6H,1-2H3
InChIKeyLJVUDTUWCHMRAU-UHFFFAOYSA-N
MW256.19 g/mol
LogP4.85
Rot. Bonds1

About 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene

1-propan-2-yl-2,4-bis(trifluoromethyl)benzene (PubChem CID 20613821) has the molecular formula C11H10F6 and a molecular weight of 256.19 g/mol. Its IUPAC name is 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
PubChem CID20613821
Molecular FormulaC11H10F6
Molecular Weight256.19 g/mol
Exact Mass256.07
IUPAC Name1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C11H10F6/c1-6(2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17/h3-6H,1-2H3
InChIKeyLJVUDTUWCHMRAU-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-propan-2-yl-5-(trifluoromethyl)phenol
CID 177136292
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512665
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171210265
(1R,2S)-1-amino-1-[2,4-bis(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171264197
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
CID 171210217
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2-difluoroethanamine;hydrochloride
CID 171249850
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
1-icosan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 174732520
CID 167493286
CID 167493286
4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 90892155
(1S)-1-[2,4-bis(trifluoromethyl)phenyl]propane-1,3-diamine;hydrochloride
CID 171229824
4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 140930346

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene?
The IUPAC name of 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene (CID 20613821) is 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene is CC(C)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene?
The InChIKey is LJVUDTUWCHMRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6/c1-6(2)8-4-3-7(10(12,13)14)5-9(8)11(15,16)17/h3-6H,1-2H3.
What are the key properties of 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene?
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene has a molecular weight of 256.19 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 20613821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).