(3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine

C15H23FN2 — CID 71172945

IUPAC(3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine
SMILESCC1=CC=C(N2CC[C@@H](N3CCCC3)C2)C(F)C1
InChIInChI=1S/C15H23FN2/c1-12-4-5-15(14(16)10-12)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,13-14H,2-3,6-11H2,1H3/t13-,14?/m1/s1
InChIKeyUFYSSYDHKFKTHD-KWCCSABGSA-N
MW250.36 g/mol
LogP2.73
Rot. Bonds2

About (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine

(3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 71172945) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine
PubChem CID71172945
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name(3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine
SMILESCC1=CC=C(N2CC[C@@H](N3CCCC3)C2)C(F)C1
InChIInChI=1S/C15H23FN2/c1-12-4-5-15(14(16)10-12)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,13-14H,2-3,6-11H2,1H3/t13-,14?/m1/s1
InChIKeyUFYSSYDHKFKTHD-KWCCSABGSA-N
XLogP2.73
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine (CID 71172945) is (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine is CC1=CC=C(N2CC[C@@H](N3CCCC3)C2)C(F)C1.
What is the InChIKey of (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is UFYSSYDHKFKTHD-KWCCSABGSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-4-5-15(14(16)10-12)18-9-6-13(11-18)17-7-2-3-8-17/h4-5,13-14H,2-3,6-11H2,1H3/t13-,14?/m1/s1.
What are the key properties of (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine?
(3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 250.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 71172945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).