2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine

C13H14F3NO — CID 70352241

IUPAC2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine
SMILESCC=CC1NCC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO/c1-2-3-11-12(8-17-11)18-10-6-4-9(5-7-10)13(14,15)16/h2-7,11-12,17H,8H2,1H3
InChIKeyPRZWOLZXYDVNBS-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.00
Rot. Bonds3

About 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine

2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine (PubChem CID 70352241) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine.

Molecular Properties

Compound Name2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine
PubChem CID70352241
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine
SMILESCC=CC1NCC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3NO/c1-2-3-11-12(8-17-11)18-10-6-4-9(5-7-10)13(14,15)16/h2-7,11-12,17H,8H2,1H3
InChIKeyPRZWOLZXYDVNBS-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,2S,5R)-2-ethenyl-5-[(Z)-prop-1-enyl]cyclopentyl]oxy-4-(trifluoromethyl)benzene
CID 129214429
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 60880462
2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 113439863
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 113439942
2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 19850274
1-[(1S,2R,5S)-2-[(Z)-but-1-enyl]-5-ethenylcyclopentyl]oxy-4-(trifluoromethyl)benzene
CID 121277043
1-(3-bromo-2-propoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 107942872
methyl (2S,4R)-4-[4-(trifluoromethyl)phenoxy]pyrrolidine-2-carboxylate;hydrochloride
CID 126969437
1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene
CID 173445400
N-methyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]azetidin-3-amine
CID 120857759
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866

Frequently Asked Questions

What is the IUPAC name of 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine?
The IUPAC name of 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine (CID 70352241) is 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine.
What is the SMILES notation for 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine?
The canonical SMILES for 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine is CC=CC1NCC1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine?
The InChIKey is PRZWOLZXYDVNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-2-3-11-12(8-17-11)18-10-6-4-9(5-7-10)13(14,15)16/h2-7,11-12,17H,8H2,1H3.
What are the key properties of 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine?
2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine has a molecular weight of 257.25 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-1-enyl-3-[4-(trifluoromethyl)phenoxy]azetidine is sourced from PubChem (CID 70352241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).