2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine

C14H24ClF2N — CID 114225191

IUPAC2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine
SMILESFC1(F)CCCC(CN2CCCC2CCCCl)C1
InChIInChI=1S/C14H24ClF2N/c15-8-2-5-13-6-3-9-18(13)11-12-4-1-7-14(16,17)10-12/h12-13H,1-11H2
InChIKeyNUTQEIQSPUBZMV-UHFFFAOYSA-N
MW279.80 g/mol
LogP4.30
Rot. Bonds5

About 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine

2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine (PubChem CID 114225191) has the molecular formula C14H24ClF2N and a molecular weight of 279.80 g/mol. Its IUPAC name is 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine
PubChem CID114225191
Molecular FormulaC14H24ClF2N
Molecular Weight279.80 g/mol
Exact Mass279.16
IUPAC Name2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine
SMILESFC1(F)CCCC(CN2CCCC2CCCCl)C1
InChIInChI=1S/C14H24ClF2N/c15-8-2-5-13-6-3-9-18(13)11-12-4-1-7-14(16,17)10-12/h12-13H,1-11H2
InChIKeyNUTQEIQSPUBZMV-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine?
The IUPAC name of 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine (CID 114225191) is 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine.
What is the SMILES notation for 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine?
The canonical SMILES for 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine is FC1(F)CCCC(CN2CCCC2CCCCl)C1.
What is the InChIKey of 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine?
The InChIKey is NUTQEIQSPUBZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClF2N/c15-8-2-5-13-6-3-9-18(13)11-12-4-1-7-14(16,17)10-12/h12-13H,1-11H2.
What are the key properties of 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine?
2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine has a molecular weight of 279.80 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-1-[(3,3-difluorocyclohexyl)methyl]pyrrolidine is sourced from PubChem (CID 114225191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).