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

C8H13F2N — CID 170642143

IUPAC1-but-1-en-2-yl-3,3-difluoropyrrolidine
SMILESC=C(CC)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-3-7(2)11-5-4-8(9,10)6-11/h2-6H2,1H3
InChIKeyMOIPMAKYSDEEFE-UHFFFAOYSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds2

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

1-but-1-en-2-yl-3,3-difluoropyrrolidine (PubChem CID 170642143) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-3,3-difluoropyrrolidine
PubChem CID170642143
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-but-1-en-2-yl-3,3-difluoropyrrolidine
SMILESC=C(CC)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-3-7(2)11-5-4-8(9,10)6-11/h2-6H2,1H3
InChIKeyMOIPMAKYSDEEFE-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3,3-Trifluoroprop-1-en-2-yl)pyrrolidine
CID 85743976
1-But-1-en-2-ylpyrrolidine
CID 12571418
(2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine
CID 89209700
N,N-diethyl-3,3-difluorobut-1-en-2-amine
CID 123864048
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)pyrrolidine
CID 124118180
1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine
CID 129271802
3,3-Difluoro-1-prop-1-en-2-ylpyrrolidine
CID 143542129
4-Fluoro-1,4-dimethyl-2-methylidenepyrrolidine
CID 145542853
1-(4,4-Dimethylpent-1-en-2-yl)-3,3-difluoropyrrolidine
CID 146229196
4,4-Difluoro-1-methyl-2-methylidenepyrrolidine
CID 146609473
1-[(E)-1,3,3,4,4,4-hexafluorobut-1-en-2-yl]pyrrolidine
CID 153363765
1-Prop-1-en-2-yl-2-(trifluoromethyl)pyrrolidine
CID 164168515

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3,3-difluoropyrrolidine?
The IUPAC name of 1-but-1-en-2-yl-3,3-difluoropyrrolidine (CID 170642143) is 1-but-1-en-2-yl-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-but-1-en-2-yl-3,3-difluoropyrrolidine?
The canonical SMILES for 1-but-1-en-2-yl-3,3-difluoropyrrolidine is C=C(CC)N1CCC(F)(F)C1.
What is the InChIKey of 1-but-1-en-2-yl-3,3-difluoropyrrolidine?
The InChIKey is MOIPMAKYSDEEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-3-7(2)11-5-4-8(9,10)6-11/h2-6H2,1H3.
What are the key properties of 1-but-1-en-2-yl-3,3-difluoropyrrolidine?
1-but-1-en-2-yl-3,3-difluoropyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3,3-difluoropyrrolidine is sourced from PubChem (CID 170642143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).