1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol

C14H23F2NO — CID 114224533

IUPAC1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)(CC2CCC(F)(F)C2)CN1C1CC1
InChIInChI=1S/C14H23F2NO/c1-10-6-13(18,9-17(10)12-2-3-12)7-11-4-5-14(15,16)8-11/h10-12,18H,2-9H2,1H3
InChIKeyFRYWGCVBAXYTDH-UHFFFAOYSA-N
MW259.34 g/mol
LogP2.80
Rot. Bonds3

About 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol

1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol (PubChem CID 114224533) has the molecular formula C14H23F2NO and a molecular weight of 259.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol
PubChem CID114224533
Molecular FormulaC14H23F2NO
Molecular Weight259.34 g/mol
Exact Mass259.17
IUPAC Name1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol
SMILESCC1CC(O)(CC2CCC(F)(F)C2)CN1C1CC1
InChIInChI=1S/C14H23F2NO/c1-10-6-13(18,9-17(10)12-2-3-12)7-11-4-5-14(15,16)8-11/h10-12,18H,2-9H2,1H3
InChIKeyFRYWGCVBAXYTDH-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol (CID 114224533) is 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol is CC1CC(O)(CC2CCC(F)(F)C2)CN1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol?
The InChIKey is FRYWGCVBAXYTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2NO/c1-10-6-13(18,9-17(10)12-2-3-12)7-11-4-5-14(15,16)8-11/h10-12,18H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol?
1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol has a molecular weight of 259.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(3,3-difluorocyclopentyl)methyl]-5-methylpyrrolidin-3-ol is sourced from PubChem (CID 114224533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).