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

C14H16F6 — CID 88933481

IUPAC2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene
SMILESCC(C)c1cc(C(F)(F)F)c(C(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F6/c1-7(2)9-5-10(13(15,16)17)12(8(3)4)11(6-9)14(18,19)20/h5-8H,1-4H3
InChIKeyBUUGLAVUNXHGRW-UHFFFAOYSA-N
MW298.27 g/mol
LogP5.97
Rot. Bonds2

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

2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene (PubChem CID 88933481) has the molecular formula C14H16F6 and a molecular weight of 298.27 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene
PubChem CID88933481
Molecular FormulaC14H16F6
Molecular Weight298.27 g/mol
Exact Mass298.12
IUPAC Name2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene
SMILESCC(C)c1cc(C(F)(F)F)c(C(C)C)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F6/c1-7(2)9-5-10(13(15,16)17)12(8(3)4)11(6-9)14(18,19)20/h5-8H,1-4H3
InChIKeyBUUGLAVUNXHGRW-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.27
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 22945680
2-(2-methylpropyl)-5-propan-2-yl-1,3-bis(trifluoromethyl)benzene
CID 155459844
1-chloro-2-fluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
CID 154959566
ethane;2-fluoro-5-propan-2-yl-3-(trifluoromethyl)aniline
CID 166546448
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
CID 134259779
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
2,6-di(propan-2-yl)-4-(trifluoromethyl)-1H-benzimidazole
CID 164713884
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
CID 155380246
1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 168958846
1,3-dibromo-5-tert-butyl-2-[[4-propan-2-yl-2,6-bis(trifluoromethyl)phenyl]methyl]benzene
CID 91021135
2-tert-butyl-6-propan-2-yl-4-(trifluoromethyl)-1,3-benzothiazole
CID 134415209
5-propan-2-yl-7-(trifluoromethyl)-1-benzofuran-2-carbaldehyde
CID 130283084

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene?
The IUPAC name of 2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene (CID 88933481) is 2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene is CC(C)c1cc(C(F)(F)F)c(C(C)C)c(C(F)(F)F)c1.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene?
The InChIKey is BUUGLAVUNXHGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6/c1-7(2)9-5-10(13(15,16)17)12(8(3)4)11(6-9)14(18,19)20/h5-8H,1-4H3.
What are the key properties of 2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene?
2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene has a molecular weight of 298.27 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene is sourced from PubChem (CID 88933481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).