(2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine

C10H14FN — CID 150065084

IUPAC(2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESFC1=CCC([C@@H]2CCCN2)C=C1
InChIInChI=1S/C10H14FN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3,5-6,8,10,12H,1-2,4,7H2/t8?,10-/m0/s1
InChIKeyDOCMFXZSSRJUMD-HTLJXXAVSA-N
MW167.23 g/mol
LogP2.17
Rot. Bonds1

About (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine

(2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (PubChem CID 150065084) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
PubChem CID150065084
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name(2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESFC1=CCC([C@@H]2CCCN2)C=C1
InChIInChI=1S/C10H14FN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3,5-6,8,10,12H,1-2,4,7H2/t8?,10-/m0/s1
InChIKeyDOCMFXZSSRJUMD-HTLJXXAVSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The IUPAC name of (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (CID 150065084) is (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.
What is the SMILES notation for (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The canonical SMILES for (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is FC1=CCC([C@@H]2CCCN2)C=C1.
What is the InChIKey of (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The InChIKey is DOCMFXZSSRJUMD-HTLJXXAVSA-N. The full InChI is InChI=1S/C10H14FN/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h3,5-6,8,10,12H,1-2,4,7H2/t8?,10-/m0/s1.
What are the key properties of (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
(2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine has a molecular weight of 167.23 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is sourced from PubChem (CID 150065084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).