1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol

C10H17F2NO — CID 130909227

IUPAC1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(CC2CC(F)(F)C2)CC1O
InChIInChI=1S/C10H17F2NO/c1-7-4-13(6-9(7)14)5-8-2-10(11,12)3-8/h7-9,14H,2-6H2,1H3
InChIKeyFHIQUFAZXBEZCN-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.34
Rot. Bonds2

About 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol

1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol (PubChem CID 130909227) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol
PubChem CID130909227
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(CC2CC(F)(F)C2)CC1O
InChIInChI=1S/C10H17F2NO/c1-7-4-13(6-9(7)14)5-8-2-10(11,12)3-8/h7-9,14H,2-6H2,1H3
InChIKeyFHIQUFAZXBEZCN-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol (CID 130909227) is 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol is CC1CN(CC2CC(F)(F)C2)CC1O.
What is the InChIKey of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol?
The InChIKey is FHIQUFAZXBEZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7-4-13(6-9(7)14)5-8-2-10(11,12)3-8/h7-9,14H,2-6H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol?
1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol has a molecular weight of 205.25 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 130909227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).