1-but-3-en-2-yl-3,3-difluoropyrrolidine

C8H13F2N — CID 130736637

IUPAC1-but-3-en-2-yl-3,3-difluoropyrrolidine
SMILESC=CC(C)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-3-7(2)11-5-4-8(9,10)6-11/h3,7H,1,4-6H2,2H3
InChIKeyRWPXWODHAYBYIE-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.90
Rot. Bonds2

About 1-but-3-en-2-yl-3,3-difluoropyrrolidine

1-but-3-en-2-yl-3,3-difluoropyrrolidine (PubChem CID 130736637) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-but-3-en-2-yl-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-but-3-en-2-yl-3,3-difluoropyrrolidine
PubChem CID130736637
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-but-3-en-2-yl-3,3-difluoropyrrolidine
SMILESC=CC(C)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-3-7(2)11-5-4-8(9,10)6-11/h3,7H,1,4-6H2,2H3
InChIKeyRWPXWODHAYBYIE-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-but-3-en-2-yl]-4-fluoro-4-methylpiperidine
CID 174254467
4-but-3-en-2-yl-6,6-difluoro-1,4-oxazepane
CID 130660254
6-but-3-en-2-yl-6-azaspiro[3.5]nonane
CID 130905971
1-but-3-en-2-yl-4-methylpiperidin-4-ol
CID 80702409
1-but-3-en-2-yl-3-hydroxypyrrolidine-3-carboxamide
CID 126979743
1-but-3-en-2-yl-4-methoxy-4-methylpiperidine
CID 126988728
1-but-3-en-2-yl-4-ethyl-4-methylpiperidine
CID 130841239
(1-but-3-en-2-yl-4-methylpiperidin-4-yl)methanol
CID 127000307
1-but-3-en-2-yl-4-methylpiperidine-4-carboxylic acid
CID 63124469
1-ethenylsulfinyl-3,3-difluoropyrrolidine
CID 129130908
1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine
CID 166786710
3,3-difluoro-1-[(3E)-4-propan-2-ylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 142482447

Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-yl-3,3-difluoropyrrolidine?
The IUPAC name of 1-but-3-en-2-yl-3,3-difluoropyrrolidine (CID 130736637) is 1-but-3-en-2-yl-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-but-3-en-2-yl-3,3-difluoropyrrolidine?
The canonical SMILES for 1-but-3-en-2-yl-3,3-difluoropyrrolidine is C=CC(C)N1CCC(F)(F)C1.
What is the InChIKey of 1-but-3-en-2-yl-3,3-difluoropyrrolidine?
The InChIKey is RWPXWODHAYBYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-3-7(2)11-5-4-8(9,10)6-11/h3,7H,1,4-6H2,2H3.
What are the key properties of 1-but-3-en-2-yl-3,3-difluoropyrrolidine?
1-but-3-en-2-yl-3,3-difluoropyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-yl-3,3-difluoropyrrolidine is sourced from PubChem (CID 130736637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).