1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene

C11H8F6O — CID 162498721

IUPAC1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene
SMILESC=CCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F6O/c1-2-3-18-9-5-7(10(12,13)14)4-8(6-9)11(15,16)17/h2,4-6H,1,3H2
InChIKeyJWWGZFKHDNYPLQ-UHFFFAOYSA-N
MW270.17 g/mol
LogP4.29
Rot. Bonds3

About 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene

1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene (PubChem CID 162498721) has the molecular formula C11H8F6O and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene
PubChem CID162498721
Molecular FormulaC11H8F6O
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene
SMILESC=CCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C11H8F6O/c1-2-3-18-9-5-7(10(12,13)14)4-8(6-9)11(15,16)17/h2,4-6H,1,3H2
InChIKeyJWWGZFKHDNYPLQ-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
3-pent-4-enoxy-5-(trifluoromethyl)benzoic acid
CID 66818587
6-[3,5-bis(trifluoromethyl)phenoxy]hexan-1-ol
CID 90004068
O-[3,5-bis(trifluoromethyl)phenyl]hydroxylamine
CID 88700648
1-(trifluoromethoxy)-3,5-bis(trifluoromethyl)benzene
CID 18994644
N-(3-prop-2-enoxyphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 95162922
3,5-bis(prop-2-enoxy)benzoic acid
CID 3313564
2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-N-methylprop-2-en-1-amine
CID 103067280
1-[[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,4-bis(prop-2-enoxy)butan-2-yl]oxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 11479327
5-prop-2-enoxybenzene-1,3-dicarbaldehyde
CID 10750177
2,6-dimethyl-4-prop-2-enoxypyridine
CID 119093148
2-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-2-methyloxirane
CID 66336585

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene (CID 162498721) is 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene is C=CCOc1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene?
The InChIKey is JWWGZFKHDNYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O/c1-2-3-18-9-5-7(10(12,13)14)4-8(6-9)11(15,16)17/h2,4-6H,1,3H2.
What are the key properties of 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene?
1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene has a molecular weight of 270.17 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxy-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 162498721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).