(2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole

C11H17F2N — CID 146633905

IUPAC(2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1=N[C@H](C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H17F2N/c1-8-2-3-10(14-8)9-4-6-11(12,13)7-5-9/h9-10H,2-7H2,1H3/t10-/m0/s1
InChIKeyOUYXALVRODCTSR-JTQLQIEISA-N
MW201.26 g/mol
LogP3.44
Rot. Bonds1

About (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole

(2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 146633905) has the molecular formula C11H17F2N and a molecular weight of 201.26 g/mol. Its IUPAC name is (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole
PubChem CID146633905
Molecular FormulaC11H17F2N
Molecular Weight201.26 g/mol
Exact Mass201.13
IUPAC Name(2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1=N[C@H](C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C11H17F2N/c1-8-2-3-10(14-8)9-4-6-11(12,13)7-5-9/h9-10H,2-7H2,1H3/t10-/m0/s1
InChIKeyOUYXALVRODCTSR-JTQLQIEISA-N
XLogP3.44
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole (CID 146633905) is (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole is CC1=N[C@H](C2CCC(F)(F)CC2)CC1.
What is the InChIKey of (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is OUYXALVRODCTSR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17F2N/c1-8-2-3-10(14-8)9-4-6-11(12,13)7-5-9/h9-10H,2-7H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole?
(2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 201.26 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,4-difluorocyclohexyl)-5-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 146633905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).