(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine

C11H13F4N — CID 126666433

IUPAC(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine
SMILESCC1([C@H]2CC(F)(F)CN2)CC(F)=CC=C1F
InChIInChI=1S/C11H13F4N/c1-10(4-7(12)2-3-8(10)13)9-5-11(14,15)6-16-9/h2-3,9,16H,4-6H2,1H3/t9-,10?/m1/s1
InChIKeyIEYQVYGIPCKJOX-YHMJZVADSA-N
MW235.22 g/mol
LogP3.10
Rot. Bonds1

About (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine

(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine (PubChem CID 126666433) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine
PubChem CID126666433
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine
SMILESCC1([C@H]2CC(F)(F)CN2)CC(F)=CC=C1F
InChIInChI=1S/C11H13F4N/c1-10(4-7(12)2-3-8(10)13)9-5-11(14,15)6-16-9/h2-3,9,16H,4-6H2,1H3/t9-,10?/m1/s1
InChIKeyIEYQVYGIPCKJOX-YHMJZVADSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine?
The IUPAC name of (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine (CID 126666433) is (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine.
What is the SMILES notation for (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine?
The canonical SMILES for (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine is CC1([C@H]2CC(F)(F)CN2)CC(F)=CC=C1F.
What is the InChIKey of (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine?
The InChIKey is IEYQVYGIPCKJOX-YHMJZVADSA-N. The full InChI is InChI=1S/C11H13F4N/c1-10(4-7(12)2-3-8(10)13)9-5-11(14,15)6-16-9/h2-3,9,16H,4-6H2,1H3/t9-,10?/m1/s1.
What are the key properties of (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine?
(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine has a molecular weight of 235.22 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-4,4-difluoropyrrolidine is sourced from PubChem (CID 126666433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).