(2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene

C19H21F3 — CID 134214905

IUPAC(2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene
SMILESCCC(CC(C)c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H21F3/c1-3-18(19(20,21)22,17-12-8-5-9-13-17)14-15(2)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3
InChIKeyBDSXQQCAYPSPMN-UHFFFAOYSA-N
MW306.37 g/mol
LogP6.09
Rot. Bonds5

About (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene

(2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene (PubChem CID 134214905) has the molecular formula C19H21F3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene.

Molecular Properties

Compound Name(2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene
PubChem CID134214905
Molecular FormulaC19H21F3
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name(2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene
SMILESCCC(CC(C)c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H21F3/c1-3-18(19(20,21)22,17-12-8-5-9-13-17)14-15(2)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3
InChIKeyBDSXQQCAYPSPMN-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butan-2-yl-4-(4-methyl-4-phenylhexan-2-yl)benzene
CID 59456240
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(3-ethyl-4,4-dimethylhexan-3-yl)benzene
CID 147184303
[4-bromo-1,3-diphenyl-1-(2-phenylpropyl)butyl]benzene
CID 150072887
(4-methyl-4-methylsulfonylpentan-2-yl)benzene
CID 134582598
2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23533128
(4R)-2,2-dimethyl-4-phenylpentan-1-ol
CID 135189920
2-hydroxy-N,4-diphenyl-2-(trifluoromethyl)pentanamide
CID 174555977
pentan-2-ylbenzene
CID 17627
(5,6-diethyl-6-phenyldecan-5-yl)benzene
CID 10545838
[(2R)-1-bromo-2-fluorobutan-2-yl]benzene
CID 129322211

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene?
The IUPAC name of (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene (CID 134214905) is (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene.
What is the SMILES notation for (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene?
The canonical SMILES for (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene is CCC(CC(C)c1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene?
The InChIKey is BDSXQQCAYPSPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3/c1-3-18(19(20,21)22,17-12-8-5-9-13-17)14-15(2)16-10-6-4-7-11-16/h4-13,15H,3,14H2,1-2H3.
What are the key properties of (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene?
(2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene has a molecular weight of 306.37 g/mol, XLogP of 6.09, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1,1,1-trifluoro-4-phenylpentan-2-yl)benzene is sourced from PubChem (CID 134214905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).