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

C12H13F3O — CID 123153369

IUPAC1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene
SMILESCC=C(CC)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O/c1-3-10(4-2)16-11-7-5-6-9(8-11)12(13,14)15/h3,5-8H,4H2,1-2H3
InChIKeyWDEMKBBJLBFQAJ-UHFFFAOYSA-N
MW230.23 g/mol
LogP4.40
Rot. Bonds3

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

1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene (PubChem CID 123153369) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene
PubChem CID123153369
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene
SMILESCC=C(CC)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3O/c1-3-10(4-2)16-11-7-5-6-9(8-11)12(13,14)15/h3,5-8H,4H2,1-2H3
InChIKeyWDEMKBBJLBFQAJ-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 54.40
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

1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
CID 67930269
[3-(trifluoromethyl)phenyl] N,N-diethylcarbamate
CID 102099488
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
[3-(trifluoromethyl)phenyl] carbamate
CID 56614861
2-[3-(trifluoromethyl)phenoxy]pentan-3-one
CID 64868237
[3-(trifluoromethyl)phenyl] 2-methylprop-2-enoate
CID 72524575
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
2-methyl-2-[3-(trifluoromethyl)phenoxy]propan-1-amine
CID 62352644
ditert-butyl-hydroxy-[3-(trifluoromethyl)phenoxy]silane
CID 135074693
1-(3,3-dimethylbutoxy)-3-(trifluoromethyl)benzene
CID 58044614
(E,2R)-1-[3-(trifluoromethyl)phenoxy]pent-3-en-2-ol
CID 58289073
4-(dimethylamino)-3-[3-(trifluoromethyl)phenoxy]but-3-en-2-one
CID 170621674

Frequently Asked Questions

What is the IUPAC name of 1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene (CID 123153369) is 1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene is CC=C(CC)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene?
The InChIKey is WDEMKBBJLBFQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c1-3-10(4-2)16-11-7-5-6-9(8-11)12(13,14)15/h3,5-8H,4H2,1-2H3.
What are the key properties of 1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene?
1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene has a molecular weight of 230.23 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-2-en-3-yloxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 123153369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).