(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one

C12H11F3O2 — CID 103970826

IUPAC(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3O2/c1-8(7-9(2)16)10-3-5-11(6-4-10)17-12(13,14)15/h3-7H,1-2H3/b8-7-
InChIKeyFIGJTLWQSCUISK-FPLPWBNLSA-N
MW244.21 g/mol
LogP3.58
Rot. Bonds3

About (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one

(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one (PubChem CID 103970826) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
PubChem CID103970826
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
SMILESCC(=O)/C=C(/C)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3O2/c1-8(7-9(2)16)10-3-5-11(6-4-10)17-12(13,14)15/h3-7H,1-2H3/b8-7-
InChIKeyFIGJTLWQSCUISK-FPLPWBNLSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine
CID 76997280
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl] pyridine-4-carboxylate
CID 175215487
CID 59303798
CID 59303798
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
3-[4-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]phenyl]but-2-enoic acid
CID 90404144
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
(Z)-4-(4-bromophenyl)pent-3-en-2-one
CID 23336317
2-chloro-2,2-difluoro-1-[4-(trifluoromethoxy)phenyl]ethanone
CID 19915312
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide
CID 59614232
4-phenylpent-3-en-2-one
CID 594380

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one?
The IUPAC name of (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one (CID 103970826) is (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one.
What is the SMILES notation for (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one?
The canonical SMILES for (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one is CC(=O)/C=C(/C)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one?
The InChIKey is FIGJTLWQSCUISK-FPLPWBNLSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-8(7-9(2)16)10-3-5-11(6-4-10)17-12(13,14)15/h3-7H,1-2H3/b8-7-.
What are the key properties of (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one?
(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one has a molecular weight of 244.21 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one is sourced from PubChem (CID 103970826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).