2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene

C19H19F3 — CID 174050173

IUPAC2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene
SMILESCc1ccc(C2(Cc3cccc(C(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C19H19F3/c1-13-6-7-17(14(2)10-13)18(8-9-18)12-15-4-3-5-16(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyYLNLPNLALYVMBV-UHFFFAOYSA-N
MW304.36 g/mol
LogP5.60
Rot. Bonds3

About 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene

2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene (PubChem CID 174050173) has the molecular formula C19H19F3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene.

Molecular Properties

Compound Name2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene
PubChem CID174050173
Molecular FormulaC19H19F3
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene
SMILESCc1ccc(C2(Cc3cccc(C(F)(F)F)c3)CC2)c(C)c1
InChIInChI=1S/C19H19F3/c1-13-6-7-17(14(2)10-13)18(8-9-18)12-15-4-3-5-16(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3
InChIKeyYLNLPNLALYVMBV-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.36
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 79834786
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154101
N-methyl-N-[(3-methylphenyl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 570901
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptane-1-carbonitrile
CID 65389527
[3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65407301
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
2-fluoro-4-methyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 102132722
1-(4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 62607876

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene?
The IUPAC name of 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene (CID 174050173) is 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene.
What is the SMILES notation for 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene?
The canonical SMILES for 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene is Cc1ccc(C2(Cc3cccc(C(F)(F)F)c3)CC2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene?
The InChIKey is YLNLPNLALYVMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3/c1-13-6-7-17(14(2)10-13)18(8-9-18)12-15-4-3-5-16(11-15)19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene?
2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene has a molecular weight of 304.36 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopropyl]benzene is sourced from PubChem (CID 174050173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).