2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene

C15H18F6 — CID 155459844

IUPAC2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene
SMILESCC(C)Cc1c(C(F)(F)F)cc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C15H18F6/c1-8(2)5-11-12(14(16,17)18)6-10(9(3)4)7-13(11)15(19,20)21/h6-9H,5H2,1-4H3
InChIKeyHLSLAGVRHOPSAY-UHFFFAOYSA-N
MW312.30 g/mol
LogP6.05
Rot. Bonds3

About 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene

2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene (PubChem CID 155459844) has the molecular formula C15H18F6 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene
PubChem CID155459844
Molecular FormulaC15H18F6
Molecular Weight312.30 g/mol
Exact Mass312.13
IUPAC Name2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene
SMILESCC(C)Cc1c(C(F)(F)F)cc(C(C)C)cc1C(F)(F)F
InChIInChI=1S/C15H18F6/c1-8(2)5-11-12(14(16,17)18)6-10(9(3)4)7-13(11)15(19,20)21/h6-9H,5H2,1-4H3
InChIKeyHLSLAGVRHOPSAY-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.30
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene
CID 88933481
1,3-dibromo-5-tert-butyl-2-[[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methyl]benzene
CID 91021135
1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 22945680
1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 154959566
2-ethyl-1-fluoro-5-(2-methylpropyl)-3-(trifluoromethyl)benzene
CID 166923791
ethane;2-fluoro-5-propan-2-yl-3-(trifluoromethyl)aniline
CID 166546448
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53403796
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
CID 155380246
2-tert-butyl-6-propan-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134415209
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
1-[3,5-di(propan-2-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 173247455

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene?
The IUPAC name of 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene (CID 155459844) is 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene is CC(C)Cc1c(C(F)(F)F)cc(C(C)C)cc1C(F)(F)F.
What is the InChIKey of 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene?
The InChIKey is HLSLAGVRHOPSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F6/c1-8(2)5-11-12(14(16,17)18)6-10(9(3)4)7-13(11)15(19,20)21/h6-9H,5H2,1-4H3.
What are the key properties of 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene?
2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene has a molecular weight of 312.30 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 155459844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).