1-(trifluoromethoxy)propylbenzene

C10H11F3O — CID 174717015

IUPAC1-(trifluoromethoxy)propylbenzene
SMILESCCC(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3O/c1-2-9(14-10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyMOXMKRJNYJIORE-UHFFFAOYSA-N
MW204.19 g/mol
LogP3.67
Rot. Bonds3

About 1-(trifluoromethoxy)propylbenzene

1-(trifluoromethoxy)propylbenzene (PubChem CID 174717015) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 1-(trifluoromethoxy)propylbenzene.

Molecular Properties

Compound Name1-(trifluoromethoxy)propylbenzene
PubChem CID174717015
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name1-(trifluoromethoxy)propylbenzene
SMILESCCC(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C10H11F3O/c1-2-9(14-10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyMOXMKRJNYJIORE-UHFFFAOYSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloropentane;1-(trifluoromethoxy)propylbenzene
CID 174717014
4-phenyl-4-(trifluoromethoxy)butanamide
CID 70113430
dimethyl-bis(1-phenylpropoxy)silane
CID 91741555
1-(1-phenylpropoxy)ethanethiol
CID 126486623
[2-iodo-1-(1,1,1-trifluoropropan-2-yloxy)ethyl]benzene
CID 114774573
1-pentoxypropylbenzene
CID 57033372
1-phosphanylsulfonyloxypropylbenzene
CID 174794553
1-(1-phenylpropoxy)ethane-1,2-diol
CID 68934607
dimethyl-(2,3,4,5,6-pentafluorophenyl)-(1-phenylpropoxy)silane
CID 91742948
N-methyl-2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 103725392
1-phenylpropyl 2-phenylpropanoate
CID 174489936
1-phenylpropyl 2-hydroxyacetate
CID 174847309

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethoxy)propylbenzene?
The IUPAC name of 1-(trifluoromethoxy)propylbenzene (CID 174717015) is 1-(trifluoromethoxy)propylbenzene.
What is the SMILES notation for 1-(trifluoromethoxy)propylbenzene?
The canonical SMILES for 1-(trifluoromethoxy)propylbenzene is CCC(OC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-(trifluoromethoxy)propylbenzene?
The InChIKey is MOXMKRJNYJIORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c1-2-9(14-10(11,12)13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of 1-(trifluoromethoxy)propylbenzene?
1-(trifluoromethoxy)propylbenzene has a molecular weight of 204.19 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethoxy)propylbenzene is sourced from PubChem (CID 174717015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).