3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol

C10H17F2NO — CID 130487400

IUPAC3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol
SMILESOC1(CC2CCC(F)(F)C2)CCNC1
InChIInChI=1S/C10H17F2NO/c11-10(12)2-1-8(6-10)5-9(14)3-4-13-7-9/h8,13-14H,1-7H2
InChIKeyRKXJHNZWRCUODJ-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.54
Rot. Bonds2

About 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol

3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol (PubChem CID 130487400) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol
PubChem CID130487400
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol
SMILESOC1(CC2CCC(F)(F)C2)CCNC1
InChIInChI=1S/C10H17F2NO/c11-10(12)2-1-8(6-10)5-9(14)3-4-13-7-9/h8,13-14H,1-7H2
InChIKeyRKXJHNZWRCUODJ-UHFFFAOYSA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol (CID 130487400) is 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol is OC1(CC2CCC(F)(F)C2)CCNC1.
What is the InChIKey of 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol?
The InChIKey is RKXJHNZWRCUODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12)2-1-8(6-10)5-9(14)3-4-13-7-9/h8,13-14H,1-7H2.
What are the key properties of 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol?
3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol has a molecular weight of 205.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclopentyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 130487400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).