1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one

C14H17FO2 — CID 158571654

IUPAC1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC/C(=C/F)CC)cc1
InChIInChI=1S/C14H17FO2/c1-3-11(9-15)10-17-13-7-5-12(6-8-13)14(16)4-2/h5-9H,3-4,10H2,1-2H3/b11-9+
InChIKeyFHHMWYXYZFGESU-PKNBQFBNSA-N
MW236.29 g/mol
LogP3.92
Rot. Bonds6

About 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one

1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one (PubChem CID 158571654) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one
PubChem CID158571654
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(OC/C(=C/F)CC)cc1
InChIInChI=1S/C14H17FO2/c1-3-11(9-15)10-17-13-7-5-12(6-8-13)14(16)4-2/h5-9H,3-4,10H2,1-2H3/b11-9+
InChIKeyFHHMWYXYZFGESU-PKNBQFBNSA-N
XLogP3.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propanoylphenoxy)pentan-2-one
CID 62043613
3-methyl-4-(4-propanoylphenoxy)but-2-enoic acid
CID 77005451
3-(4-propanoylphenoxy)propanoic acid
CID 3050237
1-[4-[2-oxo-2-[4-[2-(4-propanoylphenoxy)acetyl]piperazin-1-yl]ethoxy]phenyl]propan-1-one
CID 17234094
N-ethyl-N-methyl-2-(4-propanoylphenoxy)acetamide
CID 43243911
(3,5-dimethoxyphenyl) 2-(4-propanoylphenoxy)acetate
CID 8758809
1-(2,2-dimethylpropylsulfonyl)-4-[(2Z)-2-(fluoromethylidene)butoxy]benzene
CID 159986554
4-[(E)-2-(aminomethyl)-3-fluoroprop-2-enoxy]-N-tert-butylbenzamide
CID 71812247
[2-[[4-(tert-butylcarbamoyl)phenoxy]methyl]-3-fluoroprop-2-enyl]azanium
CID 148846324
3-methylbutyl 2-(4-propanoylphenoxy)acetate
CID 86914486
(4-propanoylphenyl) propanoate
CID 19170728
3-[methyl-[2-(4-propanoylphenoxy)acetyl]amino]propanoic acid
CID 75405754

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one (CID 158571654) is 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one is CCC(=O)c1ccc(OC/C(=C/F)CC)cc1.
What is the InChIKey of 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one?
The InChIKey is FHHMWYXYZFGESU-PKNBQFBNSA-N. The full InChI is InChI=1S/C14H17FO2/c1-3-11(9-15)10-17-13-7-5-12(6-8-13)14(16)4-2/h5-9H,3-4,10H2,1-2H3/b11-9+.
What are the key properties of 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one?
1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one has a molecular weight of 236.29 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2E)-2-(fluoromethylidene)butoxy]phenyl]propan-1-one is sourced from PubChem (CID 158571654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).