1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene

C10H9F3O — CID 67930269

IUPAC1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
SMILESC=C(C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O/c1-7(2)14-9-5-3-4-8(6-9)10(11,12)13/h3-6H,1H2,2H3
InChIKeyNLVUVRYIDZUVIO-UHFFFAOYSA-N
MW202.17 g/mol
LogP3.62
Rot. Bonds2

About 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene

1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene (PubChem CID 67930269) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
PubChem CID67930269
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
SMILESC=C(C)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H9F3O/c1-7(2)14-9-5-3-4-8(6-9)10(11,12)13/h3-6H,1H2,2H3
InChIKeyNLVUVRYIDZUVIO-UHFFFAOYSA-N
XLogP3.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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[3-(trifluoromethyl)phenyl] carbamate
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[3-(trifluoromethyl)phenyl] 2,2-difluoro-5-methyl-5-(2-methylprop-2-enoyloxy)hexanoate
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CID 102099488
1-[3-(trifluoromethyl)phenoxy]propan-2-one
CID 14574936
(3R)-3-[3-(trifluoromethyl)phenoxy]butan-2-one
CID 6934258
CID 59626106
CID 59626106
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane
CID 135074693
[3-(trifluoromethyl)phenyl] N-(3-methylphenyl)carbamate
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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene (CID 67930269) is 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene is C=C(C)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene?
The InChIKey is NLVUVRYIDZUVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c1-7(2)14-9-5-3-4-8(6-9)10(11,12)13/h3-6H,1H2,2H3.
What are the key properties of 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene?
1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene has a molecular weight of 202.17 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 67930269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).