(5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine

C11H19F2N — CID 167026327

IUPAC(5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine
SMILESC[C@H]1CCC(C2CCC(F)(F)CC2)N1
InChIInChI=1S/C11H19F2N/c1-8-2-3-10(14-8)9-4-6-11(12,13)7-5-9/h8-10,14H,2-7H2,1H3/t8-,10?/m0/s1
InChIKeyCTUJJIMZODTLKA-PEHGTWAWSA-N
MW203.28 g/mol
LogP2.95
Rot. Bonds1

About (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine

(5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine (PubChem CID 167026327) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine.

Molecular Properties

Compound Name(5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine
PubChem CID167026327
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine
SMILESC[C@H]1CCC(C2CCC(F)(F)CC2)N1
InChIInChI=1S/C11H19F2N/c1-8-2-3-10(14-8)9-4-6-11(12,13)7-5-9/h8-10,14H,2-7H2,1H3/t8-,10?/m0/s1
InChIKeyCTUJJIMZODTLKA-PEHGTWAWSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine?
The IUPAC name of (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine (CID 167026327) is (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine.
What is the SMILES notation for (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine?
The canonical SMILES for (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine is C[C@H]1CCC(C2CCC(F)(F)CC2)N1.
What is the InChIKey of (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine?
The InChIKey is CTUJJIMZODTLKA-PEHGTWAWSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8-2-3-10(14-8)9-4-6-11(12,13)7-5-9/h8-10,14H,2-7H2,1H3/t8-,10?/m0/s1.
What are the key properties of (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine?
(5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine has a molecular weight of 203.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4,4-difluorocyclohexyl)-5-methylpyrrolidine is sourced from PubChem (CID 167026327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).