4-(trifluoromethyl)dodecoxybenzene

C19H29F3O — CID 122389329

IUPAC4-(trifluoromethyl)dodecoxybenzene
SMILESCCCCCCCCC(CCCOc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H29F3O/c1-2-3-4-5-6-8-12-17(19(20,21)22)13-11-16-23-18-14-9-7-10-15-18/h7,9-10,14-15,17H,2-6,8,11-13,16H2,1H3
InChIKeyBTEYOJCRMXZIEE-UHFFFAOYSA-N
MW330.43 g/mol
LogP6.77
Rot. Bonds12

About 4-(trifluoromethyl)dodecoxybenzene

4-(trifluoromethyl)dodecoxybenzene (PubChem CID 122389329) has the molecular formula C19H29F3O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(trifluoromethyl)dodecoxybenzene.

Molecular Properties

Compound Name4-(trifluoromethyl)dodecoxybenzene
PubChem CID122389329
Molecular FormulaC19H29F3O
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Name4-(trifluoromethyl)dodecoxybenzene
SMILESCCCCCCCCC(CCCOc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H29F3O/c1-2-3-4-5-6-8-12-17(19(20,21)22)13-11-16-23-18-14-9-7-10-15-18/h7,9-10,14-15,17H,2-6,8,11-13,16H2,1H3
InChIKeyBTEYOJCRMXZIEE-UHFFFAOYSA-N
XLogP6.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(trifluoromethyl)dodecoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pentoxybenzene;undecane
CID 174778179
1,1,1-trifluoropentadecan-2-yloxybenzene
CID 141219706
ethene;nonoxybenzene;sulfane
CID 174919596
dodecoxybenzene;ethene;hydrate
CID 174804981
N-methyl-1-phenoxynonan-3-amine
CID 55094999
2-[3-(4-phenylphenoxy)propyl]nonanenitrile
CID 67732048
2-phenoxyethanol;tetradecan-1-ol
CID 118450850
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
N-(2-phenoxyethyl)octan-2-amine
CID 60689825
benzene;ethane;heptane;methane;2-phenoxyethanol;propane
CID 158024882
1-phenoxy-N-propylnonan-3-amine
CID 63414499
2-dodecoxyethoxybenzene
CID 67831231

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)dodecoxybenzene?
The IUPAC name of 4-(trifluoromethyl)dodecoxybenzene (CID 122389329) is 4-(trifluoromethyl)dodecoxybenzene.
What is the SMILES notation for 4-(trifluoromethyl)dodecoxybenzene?
The canonical SMILES for 4-(trifluoromethyl)dodecoxybenzene is CCCCCCCCC(CCCOc1ccccc1)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)dodecoxybenzene?
The InChIKey is BTEYOJCRMXZIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F3O/c1-2-3-4-5-6-8-12-17(19(20,21)22)13-11-16-23-18-14-9-7-10-15-18/h7,9-10,14-15,17H,2-6,8,11-13,16H2,1H3.
What are the key properties of 4-(trifluoromethyl)dodecoxybenzene?
4-(trifluoromethyl)dodecoxybenzene has a molecular weight of 330.43 g/mol, XLogP of 6.77, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)dodecoxybenzene is sourced from PubChem (CID 122389329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).