(1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane

C14H18FN — CID 163632981

IUPAC(1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane
SMILESC[C@H](c1ccccc1)N1CC2CC[C@]2(F)C1
InChIInChI=1S/C14H18FN/c1-11(12-5-3-2-4-6-12)16-9-13-7-8-14(13,15)10-16/h2-6,11,13H,7-10H2,1H3/t11-,13?,14+/m1/s1
InChIKeyHXSBPIRRKVRHNS-VFXSIBAZSA-N
MW219.30 g/mol
LogP3.18
Rot. Bonds2

About (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane

(1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane (PubChem CID 163632981) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name(1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane
PubChem CID163632981
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name(1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane
SMILESC[C@H](c1ccccc1)N1CC2CC[C@]2(F)C1
InChIInChI=1S/C14H18FN/c1-11(12-5-3-2-4-6-12)16-9-13-7-8-14(13,15)10-16/h2-6,11,13H,7-10H2,1H3/t11-,13?,14+/m1/s1
InChIKeyHXSBPIRRKVRHNS-VFXSIBAZSA-N
XLogP3.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3aS,6aR)-2-(1-phenylethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120680201
6-[(1S)-1-phenylethyl]-6-azaspiro[3.4]octan-8-amine
CID 59203708
1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
5-[(1R)-1-phenylethyl]-5-azaspiro[2.4]heptane
CID 142625115
[5-(1-phenylethyl)-5-azaspiro[2.4]heptan-7-yl] acetate
CID 22417117
(3R)-4-hydroxy-3-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68945895
1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
CID 155454979
1-(1-phenylethyl)piperidin-4-amine
CID 12641844
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
1-(1-phenylethyl)-3-propan-2-ylpiperidine
CID 134236210

Frequently Asked Questions

What is the IUPAC name of (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane?
The IUPAC name of (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane (CID 163632981) is (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane.
What is the SMILES notation for (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane?
The canonical SMILES for (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane is C[C@H](c1ccccc1)N1CC2CC[C@]2(F)C1.
What is the InChIKey of (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane?
The InChIKey is HXSBPIRRKVRHNS-VFXSIBAZSA-N. The full InChI is InChI=1S/C14H18FN/c1-11(12-5-3-2-4-6-12)16-9-13-7-8-14(13,15)10-16/h2-6,11,13H,7-10H2,1H3/t11-,13?,14+/m1/s1.
What are the key properties of (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane?
(1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane has a molecular weight of 219.30 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-fluoro-3-[(1R)-1-phenylethyl]-3-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 163632981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).