1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine

C8H13F2N — CID 143653006

IUPAC1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine
SMILESC/C=C(/C)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-3-7(2)11-5-4-8(9,10)6-11/h3H,4-6H2,1-2H3/b7-3-
InChIKeyDNALSERZYAZVCY-CLTKARDFSA-N
MW161.19 g/mol
LogP2.25
Rot. Bonds1

About 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine

1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine (PubChem CID 143653006) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine
PubChem CID143653006
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine
SMILESC/C=C(/C)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-3-7(2)11-5-4-8(9,10)6-11/h3H,4-6H2,1-2H3/b7-3-
InChIKeyDNALSERZYAZVCY-CLTKARDFSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine (CID 143653006) is 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine is C/C=C(/C)N1CCC(F)(F)C1.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine?
The InChIKey is DNALSERZYAZVCY-CLTKARDFSA-N. The full InChI is InChI=1S/C8H13F2N/c1-3-7(2)11-5-4-8(9,10)6-11/h3H,4-6H2,1-2H3/b7-3-.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine?
1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine has a molecular weight of 161.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine is sourced from PubChem (CID 143653006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).