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

C11H15F2N — CID 126667124

IUPAC(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESCC1([C@H]2CCCN2)CC(F)=CC=C1F
InChIInChI=1S/C11H15F2N/c1-11(10-3-2-6-14-10)7-8(12)4-5-9(11)13/h4-5,10,14H,2-3,6-7H2,1H3/t10-,11?/m1/s1
InChIKeyPGWBZIDLDFQVKZ-NFJWQWPMSA-N
MW199.24 g/mol
LogP2.86
Rot. Bonds1

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

(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine (PubChem CID 126667124) has the molecular formula C11H15F2N and a molecular weight of 199.24 g/mol. Its IUPAC name is (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
PubChem CID126667124
Molecular FormulaC11H15F2N
Molecular Weight199.24 g/mol
Exact Mass199.12
IUPAC Name(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESCC1([C@H]2CCCN2)CC(F)=CC=C1F
InChIInChI=1S/C11H15F2N/c1-11(10-3-2-6-14-10)7-8(12)4-5-9(11)13/h4-5,10,14H,2-3,6-7H2,1H3/t10-,11?/m1/s1
InChIKeyPGWBZIDLDFQVKZ-NFJWQWPMSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.86
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)pyrrolidine?
The IUPAC name of (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine (CID 126667124) is (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine.
What is the SMILES notation for (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine?
The canonical SMILES for (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine is CC1([C@H]2CCCN2)CC(F)=CC=C1F.
What is the InChIKey of (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine?
The InChIKey is PGWBZIDLDFQVKZ-NFJWQWPMSA-N. The full InChI is InChI=1S/C11H15F2N/c1-11(10-3-2-6-14-10)7-8(12)4-5-9(11)13/h4-5,10,14H,2-3,6-7H2,1H3/t10-,11?/m1/s1.
What are the key properties of (2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine?
(2R)-2-(2,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)pyrrolidine has a molecular weight of 199.24 g/mol, XLogP of 2.86, 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)pyrrolidine is sourced from PubChem (CID 126667124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).