1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene

C13H13F3O — CID 12774541

IUPAC1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene
SMILESC=CC(Oc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H13F3O/c1-2-12(9-3-4-9)17-11-7-5-10(6-8-11)13(14,15)16/h2,5-9,12H,1,3-4H2
InChIKeyBRUALALOFHCQDF-UHFFFAOYSA-N
MW242.24 g/mol
LogP4.05
Rot. Bonds4

About 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene

1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene (PubChem CID 12774541) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene
PubChem CID12774541
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene
SMILESC=CC(Oc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C13H13F3O/c1-2-12(9-3-4-9)17-11-7-5-10(6-8-11)13(14,15)16/h2,5-9,12H,1,3-4H2
InChIKeyBRUALALOFHCQDF-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.05
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

3-cyclopropyl-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 12774539
2-[1-[4-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 117051326
1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene
CID 129214429
1-(1-phenylbut-3-enoxy)-4-(trifluoromethyl)benzene
CID 11130099
1-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62796946
2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde
CID 174144064
1-(thian-4-yl)-2-[4-(trifluoromethyl)phenoxy]ethanamine
CID 117238883
3-[(S)-oxan-4-yl-[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 66859831
(3S)-3-[(2S)-2-[4-(trifluoromethyl)phenoxy]propyl]-2,3-dihydro-1H-pyrrol-5-amine
CID 141253071
N-prop-2-ynyl-2-[4-(trifluoromethyl)phenoxy]propan-1-amine
CID 62571922
4-[1-[4-(trifluoromethyl)phenyl]ethoxy]aniline
CID 162519931
2-methyl-N-[2-[4-(trifluoromethyl)phenoxy]propyl]propan-1-amine
CID 55072913

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene (CID 12774541) is 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene is C=CC(Oc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene?
The InChIKey is BRUALALOFHCQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O/c1-2-12(9-3-4-9)17-11-7-5-10(6-8-11)13(14,15)16/h2,5-9,12H,1,3-4H2.
What are the key properties of 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene?
1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene has a molecular weight of 242.24 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylprop-2-enoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 12774541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).