1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene

C15H20F6 — CID 145201590

IUPAC1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene
SMILESC=CC.CCC.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6.C3H8.C3H6/c1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;2*1-3-2/h2-4H,1H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyLSHXSRYTCMIUFS-UHFFFAOYSA-N
MW314.31 g/mol
LogP6.64
Rot. Bonds

About 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene

1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene (PubChem CID 145201590) has the molecular formula C15H20F6 and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene.

Molecular Properties

Compound Name1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene
PubChem CID145201590
Molecular FormulaC15H20F6
Molecular Weight314.31 g/mol
Exact Mass314.15
IUPAC Name1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene
SMILESC=CC.CCC.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6.C3H8.C3H6/c1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;2*1-3-2/h2-4H,1H3;3H2,1-2H3;3H,1H2,2H3
InChIKeyLSHXSRYTCMIUFS-UHFFFAOYSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
1-[difluoro(iodo)methyl]-3-methyl-5-(trifluoromethyl)benzene
CID 131977806
1-methyl-3-[(E)-prop-1-enyl]-5-(trifluoromethyl)benzene
CID 139526492
methane;1-methyl-3,5-bis(trifluoromethyl)benzene;1,2,3,4,5-pentafluorobenzene
CID 158369663
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 142829661
3-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-methylbenzaldehyde
CID 122475861
N-tert-butyl-3-methyl-5-(trifluoromethyl)aniline
CID 118333519
1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane
CID 155699105
9-[3,5-bis(trifluoromethyl)phenyl]-1,2,3,4,5,6,7,8-octafluoro-10-[3-methyl-5-(trifluoromethyl)phenyl]anthracene
CID 166974251
bis(3,5-dimethylphenyl)-[3-methyl-5-(trifluoromethyl)phenyl]sulfanium
CID 163603392
2-[3-methyl-5-(trifluoromethyl)phenyl]pent-4-yn-2-ol
CID 130211257
4-[3-methyl-5-(trifluoromethyl)phenyl]but-3-enal
CID 170482331

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene?
The IUPAC name of 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene (CID 145201590) is 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene.
What is the SMILES notation for 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene?
The canonical SMILES for 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene is C=CC.CCC.Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene?
The InChIKey is LSHXSRYTCMIUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6.C3H8.C3H6/c1-5-2-6(8(10,11)12)4-7(3-5)9(13,14)15;2*1-3-2/h2-4H,1H3;3H2,1-2H3;3H,1H2,2H3.
What are the key properties of 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene?
1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene has a molecular weight of 314.31 g/mol, XLogP of 6.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,5-bis(trifluoromethyl)benzene;propane;prop-1-ene is sourced from PubChem (CID 145201590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).