1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine

C10H17F2N — CID 177054046

IUPAC1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine
SMILESC=C(N1CCC(C)C1C)C(C)(F)F
InChIInChI=1S/C10H17F2N/c1-7-5-6-13(8(7)2)9(3)10(4,11)12/h7-8H,3,5-6H2,1-2,4H3
InChIKeyRPXOAMKFUQVVDC-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.89
Rot. Bonds2

About 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine

1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine (PubChem CID 177054046) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine.

Molecular Properties

Compound Name1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine
PubChem CID177054046
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine
SMILESC=C(N1CCC(C)C1C)C(C)(F)F
InChIInChI=1S/C10H17F2N/c1-7-5-6-13(8(7)2)9(3)10(4,11)12/h7-8H,3,5-6H2,1-2,4H3
InChIKeyRPXOAMKFUQVVDC-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine?
The IUPAC name of 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine (CID 177054046) is 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine.
What is the SMILES notation for 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine?
The canonical SMILES for 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine is C=C(N1CCC(C)C1C)C(C)(F)F.
What is the InChIKey of 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine?
The InChIKey is RPXOAMKFUQVVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7-5-6-13(8(7)2)9(3)10(4,11)12/h7-8H,3,5-6H2,1-2,4H3.
What are the key properties of 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine?
1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine is sourced from PubChem (CID 177054046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).