(5,5,5-trifluoro-2,2-dimethylpentyl)benzene

C13H17F3 — CID 70815571

IUPAC(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
SMILESCC(C)(CCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C13H17F3/c1-12(2,8-9-13(14,15)16)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyAEVBVDWMADTOHL-UHFFFAOYSA-N
MW230.27 g/mol
LogP4.60
Rot. Bonds4

About (5,5,5-trifluoro-2,2-dimethylpentyl)benzene

(5,5,5-trifluoro-2,2-dimethylpentyl)benzene (PubChem CID 70815571) has the molecular formula C13H17F3 and a molecular weight of 230.27 g/mol. Its IUPAC name is (5,5,5-trifluoro-2,2-dimethylpentyl)benzene.

Molecular Properties

Compound Name(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
PubChem CID70815571
Molecular FormulaC13H17F3
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
SMILESCC(C)(CCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C13H17F3/c1-12(2,8-9-13(14,15)16)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKeyAEVBVDWMADTOHL-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-dimethylpentylbenzene
CID 15727699
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658
(2-fluoro-2-methylpropyl)benzene
CID 14343442
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
azane;2,2-dimethylbutylbenzene
CID 175285583
(2,2-dimethyl-4-phenoxybutyl)benzene
CID 145278687
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
3-fluoro-3-methyl-4-phenylbutan-1-amine
CID 83855362
(4,4,4-trifluoro-2-iodo-2-methylbutyl)benzene
CID 139678016
2,2-difluorobutylbenzene
CID 12695736
1-(2-phenylethyl)-4-(3,3,3-trifluoropropyl)benzene
CID 12783381
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361

Frequently Asked Questions

What is the IUPAC name of (5,5,5-trifluoro-2,2-dimethylpentyl)benzene?
The IUPAC name of (5,5,5-trifluoro-2,2-dimethylpentyl)benzene (CID 70815571) is (5,5,5-trifluoro-2,2-dimethylpentyl)benzene.
What is the SMILES notation for (5,5,5-trifluoro-2,2-dimethylpentyl)benzene?
The canonical SMILES for (5,5,5-trifluoro-2,2-dimethylpentyl)benzene is CC(C)(CCC(F)(F)F)Cc1ccccc1.
What is the InChIKey of (5,5,5-trifluoro-2,2-dimethylpentyl)benzene?
The InChIKey is AEVBVDWMADTOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3/c1-12(2,8-9-13(14,15)16)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3.
What are the key properties of (5,5,5-trifluoro-2,2-dimethylpentyl)benzene?
(5,5,5-trifluoro-2,2-dimethylpentyl)benzene has a molecular weight of 230.27 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5,5-trifluoro-2,2-dimethylpentyl)benzene is sourced from PubChem (CID 70815571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).