3-(3,3-difluorocyclobutyl)pyrrolidine

C8H13F2N — CID 154575264

IUPAC3-(3,3-difluorocyclobutyl)pyrrolidine
SMILESFC1(F)CC(C2CCNC2)C1
InChIInChI=1S/C8H13F2N/c9-8(10)3-7(4-8)6-1-2-11-5-6/h6-7,11H,1-5H2
InChIKeyUNWNQSGLXVRRIC-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.64
Rot. Bonds1

About 3-(3,3-difluorocyclobutyl)pyrrolidine

3-(3,3-difluorocyclobutyl)pyrrolidine (PubChem CID 154575264) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutyl)pyrrolidine.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutyl)pyrrolidine
PubChem CID154575264
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3-(3,3-difluorocyclobutyl)pyrrolidine
SMILESFC1(F)CC(C2CCNC2)C1
InChIInChI=1S/C8H13F2N/c9-8(10)3-7(4-8)6-1-2-11-5-6/h6-7,11H,1-5H2
InChIKeyUNWNQSGLXVRRIC-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Cyclobutylpyrrolidine
CID 22624476
Pyrrolidine, 3-(4,4-difluorocyclohexyl)-
CID 89500824
6,6-Difluoro-3-azabicyclo[3.2.0]heptane hydrochloride
CID 91933771
7-(Trifluoromethyl)-6-azaspiro[3.4]octane hydrochloride
CID 137990914
8-(Difluoromethyl)-6-azaspiro[3.4]octane
CID 146155401
8-(Trifluoromethyl)-6-azaspiro(3.4)octane hydrochloride
CID 165767739
1-(4-Fluoropyrrolidin-3-yl)cyclobutan-1-amine
CID 17940526
6,6-Difluoro-3-azabicyclo[3.2.0]heptane
CID 55283621
3,3-Difluoro-4-propan-2-ylpyrrolidine
CID 58945005
3-(4,4,4-Trifluorobutyl)pyrrolidine
CID 67060877
1-[(3S,4R)-4-fluoropyrrolidin-3-yl]cyclobutan-1-amine
CID 69703177
1-[(3R,4S)-4-fluoropyrrolidin-3-yl]cyclobutan-1-amine
CID 69703658

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutyl)pyrrolidine?
The IUPAC name of 3-(3,3-difluorocyclobutyl)pyrrolidine (CID 154575264) is 3-(3,3-difluorocyclobutyl)pyrrolidine.
What is the SMILES notation for 3-(3,3-difluorocyclobutyl)pyrrolidine?
The canonical SMILES for 3-(3,3-difluorocyclobutyl)pyrrolidine is FC1(F)CC(C2CCNC2)C1.
What is the InChIKey of 3-(3,3-difluorocyclobutyl)pyrrolidine?
The InChIKey is UNWNQSGLXVRRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)3-7(4-8)6-1-2-11-5-6/h6-7,11H,1-5H2.
What are the key properties of 3-(3,3-difluorocyclobutyl)pyrrolidine?
3-(3,3-difluorocyclobutyl)pyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutyl)pyrrolidine is sourced from PubChem (CID 154575264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).