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

C14H17FO2 — CID 116709296

IUPAC1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H17FO2/c1-2-17-14(10-7-8-10)13(16)9-11-5-3-4-6-12(11)15/h3-6,10,14H,2,7-9H2,1H3
InChIKeyQSRPSPGAMJEHEG-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.75
Rot. Bonds6

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

1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one (PubChem CID 116709296) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
PubChem CID116709296
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccccc1F)C1CC1
InChIInChI=1S/C14H17FO2/c1-2-17-14(10-7-8-10)13(16)9-11-5-3-4-6-12(11)15/h3-6,10,14H,2,7-9H2,1H3
InChIKeyQSRPSPGAMJEHEG-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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Related Compounds

1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one
CID 116709210
1-cyclopropyl-1-ethoxy-3-(4-fluoro-2-methylphenyl)propan-2-one
CID 114347374
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
CID 107308047
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
CID 114931443
2-(2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 65424476
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-2-ethoxyethanone
CID 116709249
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
N-[cyano(cyclopropyl)methyl]-2-(2-fluorophenyl)acetamide
CID 63822321
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 116723827
N-cyclopropyl-2-(2-fluorophenyl)-N-[(2S)-1-methylsulfonylpropan-2-yl]acetamide
CID 96539492
propan-2-yl 3-(2-fluorophenyl)-2-oxopropanoate
CID 18370977

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one (CID 116709296) is 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one is CCOC(C(=O)Cc1ccccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one?
The InChIKey is QSRPSPGAMJEHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-2-17-14(10-7-8-10)13(16)9-11-5-3-4-6-12(11)15/h3-6,10,14H,2,7-9H2,1H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)propan-2-one?
1-cyclopropyl-1-ethoxy-3-(2-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-(2-fluorophenyl)propan-2-one is sourced from PubChem (CID 116709296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).