2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol

C10H17F2NO — CID 130624117

IUPAC2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CN1CCC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c11-10(12)4-5-13(7-10)6-8-2-1-3-9(8)14/h8-9,14H,1-7H2
InChIKeyHKDYFKOWTZDDBX-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.49
Rot. Bonds2

About 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol

2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol (PubChem CID 130624117) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol
PubChem CID130624117
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol
SMILESOC1CCCC1CN1CCC(F)(F)C1
InChIInChI=1S/C10H17F2NO/c11-10(12)4-5-13(7-10)6-8-2-1-3-9(8)14/h8-9,14H,1-7H2
InChIKeyHKDYFKOWTZDDBX-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol (CID 130624117) is 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol is OC1CCCC1CN1CCC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol?
The InChIKey is HKDYFKOWTZDDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12)4-5-13(7-10)6-8-2-1-3-9(8)14/h8-9,14H,1-7H2.
What are the key properties of 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol?
2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol has a molecular weight of 205.25 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 130624117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).