1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene

C20H20F6 — CID 130220413

IUPAC1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene
SMILESCC(C)c1cc(C[C@H](C)c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F6/c1-12(2)16-9-14(10-18(11-16)20(24,25)26)8-13(3)15-4-6-17(7-5-15)19(21,22)23/h4-7,9-13H,8H2,1-3H3/t13-/m0/s1
InChIKeyBSUPUSORTBTPGI-ZDUSSCGKSA-N
MW374.37 g/mol
LogP7.19
Rot. Bonds4

About 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene

1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene (PubChem CID 130220413) has the molecular formula C20H20F6 and a molecular weight of 374.37 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene
PubChem CID130220413
Molecular FormulaC20H20F6
Molecular Weight374.37 g/mol
Exact Mass374.15
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene
SMILESCC(C)c1cc(C[C@H](C)c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F6/c1-12(2)16-9-14(10-18(11-16)20(24,25)26)8-13(3)15-4-6-17(7-5-15)19(21,22)23/h4-7,9-13H,8H2,1-3H3/t13-/m0/s1
InChIKeyBSUPUSORTBTPGI-ZDUSSCGKSA-N
XLogP7.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.37
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-propan-2-yl-3-[(2S)-2-[3-[2-[4-(trifluoromethyl)phenyl]propyl]phenyl]propyl]benzene
CID 178057958
ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 155737797
1-[2-[3-(difluoromethyl)phenyl]propyl]-3-[1-(3-nitro-5-propan-2-ylphenyl)propan-2-yl]-5-(trifluoromethyl)benzene
CID 126710075
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
[3,5-di(propan-2-yl)phenyl]-[4-(trifluoromethyl)phenyl]methanol
CID 123699279
(3S)-3-[4-(trifluoromethyl)phenyl]butanenitrile
CID 124509787
1-methyl-4-[2-[3-(trifluoromethyl)phenyl]propyl]benzene
CID 91289654
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
(1S)-1,2-bis[3,5-bis(trifluoromethyl)phenyl]ethanamine
CID 143923962
1-phenyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 167251693
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene (CID 130220413) is 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene is CC(C)c1cc(C[C@H](C)c2ccc(C(F)(F)F)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene?
The InChIKey is BSUPUSORTBTPGI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20F6/c1-12(2)16-9-14(10-18(11-16)20(24,25)26)8-13(3)15-4-6-17(7-5-15)19(21,22)23/h4-7,9-13H,8H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene?
1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene has a molecular weight of 374.37 g/mol, XLogP of 7.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene is sourced from PubChem (CID 130220413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).