ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one

C16H25FO2 — CID 155707331

IUPACethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one
SMILESCC.CCCOc1cccc(CCCC(C)=O)c1F
InChIInChI=1S/C14H19FO2.C2H6/c1-3-10-17-13-9-5-8-12(14(13)15)7-4-6-11(2)16;1-2/h5,8-9H,3-4,6-7,10H2,1-2H3;1-2H3
InChIKeyUIISPYAJRJGCMM-UHFFFAOYSA-N
MW268.37 g/mol
LogP4.55
Rot. Bonds7

About ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one

ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one (PubChem CID 155707331) has the molecular formula C16H25FO2 and a molecular weight of 268.37 g/mol. Its IUPAC name is ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one.

Molecular Properties

Compound Nameethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one
PubChem CID155707331
Molecular FormulaC16H25FO2
Molecular Weight268.37 g/mol
Exact Mass268.18
IUPAC Nameethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one
SMILESCC.CCCOc1cccc(CCCC(C)=O)c1F
InChIInChI=1S/C14H19FO2.C2H6/c1-3-10-17-13-9-5-8-12(14(13)15)7-4-6-11(2)16;1-2/h5,8-9H,3-4,6-7,10H2,1-2H3;1-2H3
InChIKeyUIISPYAJRJGCMM-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(2-fluoro-3-propoxyphenyl)hexan-2-one
CID 157048825
2-fluoro-1-[2-(2-fluoro-3-octoxyphenyl)ethyl]-3-octoxybenzene
CID 139679650
6-(2-fluoro-3-methoxyphenyl)hexan-3-one
CID 104795064
4-(3-ethoxy-2-fluorophenyl)butyl 2-methylpropanoate
CID 158462804
methyl 2-fluoro-3-propoxybenzoate
CID 146035428
1-(bromomethyl)-2-fluoro-3-octoxybenzene
CID 19033781
ethane;4-[2-fluoro-3-(2-methylpropoxy)phenyl]butyl propanoate
CID 176933042
ethane;6-(3-propoxyphenyl)hexan-2-one
CID 157048681
1-(2-butoxyphenyl)propan-2-one
CID 82161473
ethane;2-fluoro-6-propoxybenzoic acid
CID 142472968
2-amino-6-fluoro-N-[(2-fluoro-3-propoxyphenyl)methyl]pyridine-3-carboxamide
CID 66843381
1-chloro-2-fluoro-3-propoxybenzene
CID 125116301

Frequently Asked Questions

What is the IUPAC name of ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one?
The IUPAC name of ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one (CID 155707331) is ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one.
What is the SMILES notation for ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one?
The canonical SMILES for ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one is CC.CCCOc1cccc(CCCC(C)=O)c1F.
What is the InChIKey of ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one?
The InChIKey is UIISPYAJRJGCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO2.C2H6/c1-3-10-17-13-9-5-8-12(14(13)15)7-4-6-11(2)16;1-2/h5,8-9H,3-4,6-7,10H2,1-2H3;1-2H3.
What are the key properties of ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one?
ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one has a molecular weight of 268.37 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-(2-fluoro-3-propoxyphenyl)pentan-2-one is sourced from PubChem (CID 155707331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).