12-(trifluoromethoxy)dodecylbenzene

C19H29F3O — CID 59366570

IUPAC12-(trifluoromethoxy)dodecylbenzene
SMILESFC(F)(F)OCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C19H29F3O/c20-19(21,22)23-17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2
InChIKeyVZQVYSZQXFVCGC-UHFFFAOYSA-N
MW330.43 g/mol
LogP6.67
Rot. Bonds13

About 12-(trifluoromethoxy)dodecylbenzene

12-(trifluoromethoxy)dodecylbenzene (PubChem CID 59366570) has the molecular formula C19H29F3O and a molecular weight of 330.43 g/mol. Its IUPAC name is 12-(trifluoromethoxy)dodecylbenzene.

Molecular Properties

Compound Name12-(trifluoromethoxy)dodecylbenzene
PubChem CID59366570
Molecular FormulaC19H29F3O
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Name12-(trifluoromethoxy)dodecylbenzene
SMILESFC(F)(F)OCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C19H29F3O/c20-19(21,22)23-17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2
InChIKeyVZQVYSZQXFVCGC-UHFFFAOYSA-N
XLogP6.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methylpropan-2-yl)oxy]butylbenzene
CID 14937175
8-(8-phenyloctoxy)octylbenzene
CID 56628536
16-phenyl-1-(trifluoromethoxy)hexadecan-2-one
CID 70498618
7-methoxyheptylbenzene
CID 54276867
4-phenylbutylbenzene
CID 141301927
18-phenyloctadecyl formate
CID 173425595
2-methyl-2-(4-phenylbutoxy)propan-1-amine
CID 114332862
benzyl 5-(trifluoromethoxy)pentanoate
CID 163279648
4-phenylbutyl hypochlorite
CID 165357420
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
6-ethoxyhexylbenzene
CID 54300935

Frequently Asked Questions

What is the IUPAC name of 12-(trifluoromethoxy)dodecylbenzene?
The IUPAC name of 12-(trifluoromethoxy)dodecylbenzene (CID 59366570) is 12-(trifluoromethoxy)dodecylbenzene.
What is the SMILES notation for 12-(trifluoromethoxy)dodecylbenzene?
The canonical SMILES for 12-(trifluoromethoxy)dodecylbenzene is FC(F)(F)OCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of 12-(trifluoromethoxy)dodecylbenzene?
The InChIKey is VZQVYSZQXFVCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3O/c20-19(21,22)23-17-13-8-6-4-2-1-3-5-7-10-14-18-15-11-9-12-16-18/h9,11-12,15-16H,1-8,10,13-14,17H2.
What are the key properties of 12-(trifluoromethoxy)dodecylbenzene?
12-(trifluoromethoxy)dodecylbenzene has a molecular weight of 330.43 g/mol, XLogP of 6.67, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(trifluoromethoxy)dodecylbenzene is sourced from PubChem (CID 59366570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).