3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride

C8H12ClF2N — CID 178165371

IUPAC3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride
SMILESCl.FC1(F)CC(=C2CCNC2)C1
InChIInChI=1S/C8H11F2N.ClH/c9-8(10)3-7(4-8)6-1-2-11-5-6;/h11H,1-5H2;1H
InChIKeyHXCVKXZSFUDEPP-UHFFFAOYSA-N
MW195.64 g/mol
LogP2.13
Rot. Bonds

About 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride

3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride (PubChem CID 178165371) has the molecular formula C8H12ClF2N and a molecular weight of 195.64 g/mol. Its IUPAC name is 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride
PubChem CID178165371
Molecular FormulaC8H12ClF2N
Molecular Weight195.64 g/mol
Exact Mass195.06
IUPAC Name3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride
SMILESCl.FC1(F)CC(=C2CCNC2)C1
InChIInChI=1S/C8H11F2N.ClH/c9-8(10)3-7(4-8)6-1-2-11-5-6;/h11H,1-5H2;1H
InChIKeyHXCVKXZSFUDEPP-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.64
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160727
(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160809
(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine;hydrochloride
CID 162691497
(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidine;hydrochloride
CID 162691510
(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride
CID 167395794
(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride
CID 167395813
3-(2,2,2-Trifluoroethylidene)pyrrolidine;hydrochloride
CID 175185431
(3Z)-3-(4,4,4-trifluorobutylidene)pyrrolidine
CID 115519755
(3E)-3-(3,3,3-trifluoropropylidene)pyrrolidine hydrochloride
CID 168025183
3-(3,3-Difluorocyclobutylidene)pyrrolidine
CID 178165372
3-Cyclobutylidenepyrrolidine hydrochloride
CID 121209196
3-Cyclobutylidenepyrrolidine
CID 121209197

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride?
The IUPAC name of 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride (CID 178165371) is 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride is Cl.FC1(F)CC(=C2CCNC2)C1.
What is the InChIKey of 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride?
The InChIKey is HXCVKXZSFUDEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N.ClH/c9-8(10)3-7(4-8)6-1-2-11-5-6;/h11H,1-5H2;1H.
What are the key properties of 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride?
3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride has a molecular weight of 195.64 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclobutylidene)pyrrolidine;hydrochloride is sourced from PubChem (CID 178165371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).