1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one

C14H17FO2 — CID 116709210

IUPAC1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H17FO2/c1-2-17-14(11-5-6-11)13(16)9-10-3-7-12(15)8-4-10/h3-4,7-8,11,14H,2,5-6,9H2,1H3
InChIKeyWPHGRIJGGZBYRA-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.75
Rot. Bonds6

About 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one

1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one (PubChem CID 116709210) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one
PubChem CID116709210
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H17FO2/c1-2-17-14(11-5-6-11)13(16)9-10-3-7-12(15)8-4-10/h3-4,7-8,11,14H,2,5-6,9H2,1H3
InChIKeyWPHGRIJGGZBYRA-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one (CID 116709210) is 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one is CCOC(C(=O)Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one?
The InChIKey is WPHGRIJGGZBYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-2-17-14(11-5-6-11)13(16)9-10-3-7-12(15)8-4-10/h3-4,7-8,11,14H,2,5-6,9H2,1H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one?
1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one has a molecular weight of 236.29 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one is sourced from PubChem (CID 116709210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).