1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one

C19H24FNO2 — CID 95163577

IUPAC1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C19H24FNO2/c20-16-2-1-3-18(11-16)23-5-4-19(22)21-12-15-7-13-6-14(8-15)10-17(21)9-13/h1-3,11,13-15,17H,4-10,12H2/t13-,14+,15?,17?
InChIKeyXYYJRNLCDPXSQD-KWOWKCNFSA-N
MW317.40 g/mol
LogP3.63
Rot. Bonds4

About 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one

1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one (PubChem CID 95163577) has the molecular formula C19H24FNO2 and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
PubChem CID95163577
Molecular FormulaC19H24FNO2
Molecular Weight317.40 g/mol
Exact Mass317.18
IUPAC Name1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
SMILESO=C(CCOc1cccc(F)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3
InChIInChI=1S/C19H24FNO2/c20-16-2-1-3-18(11-16)23-5-4-19(22)21-12-15-7-13-6-14(8-15)10-17(21)9-13/h1-3,11,13-15,17H,4-10,12H2/t13-,14+,15?,17?
InChIKeyXYYJRNLCDPXSQD-KWOWKCNFSA-N
XLogP3.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-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

(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000573
(2S)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153262
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
4-(3-fluorophenoxy)-1-(2,4,5-trimethylpiperazin-1-yl)butan-1-one
CID 75396981
(2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide
CID 99787900
(2R)-1-acetyl-4-[3-(3-fluorophenoxy)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124943012
methyl 3-(3-fluorophenoxy)propanoate
CID 28889468
1-(2-adamantyl)-3-[2-(3-fluorophenoxy)ethyl]urea
CID 112832180
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 120736748
1-[(3S)-3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95293526

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one?
The IUPAC name of 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one (CID 95163577) is 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one.
What is the SMILES notation for 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one?
The canonical SMILES for 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one is O=C(CCOc1cccc(F)c1)N1CC2C[C@@H]3CC1C[C@H](C2)C3.
What is the InChIKey of 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one?
The InChIKey is XYYJRNLCDPXSQD-KWOWKCNFSA-N. The full InChI is InChI=1S/C19H24FNO2/c20-16-2-1-3-18(11-16)23-5-4-19(22)21-12-15-7-13-6-14(8-15)10-17(21)9-13/h1-3,11,13-15,17H,4-10,12H2/t13-,14+,15?,17?.
What are the key properties of 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one?
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one has a molecular weight of 317.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one is sourced from PubChem (CID 95163577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).