(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene

C14H19F3 — CID 137470880

IUPAC(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene
SMILESCC(C)(C)C(CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H19F3/c1-13(2,3)12(9-10-14(15,16)17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyMUXRZFLEILDXHY-UHFFFAOYSA-N
MW244.30 g/mol
LogP5.16
Rot. Bonds3

About (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene

(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene (PubChem CID 137470880) has the molecular formula C14H19F3 and a molecular weight of 244.30 g/mol. Its IUPAC name is (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene.

Molecular Properties

Compound Name(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene
PubChem CID137470880
Molecular FormulaC14H19F3
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene
SMILESCC(C)(C)C(CCC(F)(F)F)c1ccccc1
InChIInChI=1S/C14H19F3/c1-13(2,3)12(9-10-14(15,16)17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3
InChIKeyMUXRZFLEILDXHY-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.30
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2,5,5-tetramethylhexan-3-ylbenzene
CID 546256
2,2,5-trimethylhexan-3-ylbenzene
CID 18669937
2,2,5,5-tetramethyloctan-3-ylbenzene
CID 144612557
(1,1,1-trifluoro-4,4-dimethylhexan-3-yl)benzene
CID 155261627
ethane;[(2S)-1,1,1-trifluoropentan-2-yl]benzene
CID 170769843
1-(2,2-dimethylhexan-3-yl)-4-phenoxybenzene;ethane
CID 145059782
4,4-dimethyl-3-phenylpentanamide
CID 82077159
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene
CID 176962079
(3,3-dimethyl-2-phenylbutyl)-dimethyl-trimethylsilyloxysilane
CID 175031101
4,4,5,5,6,6,6-heptafluorohexan-3-ylbenzene
CID 174807736
1-phenyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
CID 115520442

Frequently Asked Questions

What is the IUPAC name of (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene?
The IUPAC name of (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene (CID 137470880) is (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene.
What is the SMILES notation for (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene?
The canonical SMILES for (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene is CC(C)(C)C(CCC(F)(F)F)c1ccccc1.
What is the InChIKey of (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene?
The InChIKey is MUXRZFLEILDXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3/c1-13(2,3)12(9-10-14(15,16)17)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3.
What are the key properties of (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene?
(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene has a molecular weight of 244.30 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6,6-trifluoro-2,2-dimethylhexan-3-yl)benzene is sourced from PubChem (CID 137470880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).