3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide

C9H16BF3N- — CID 106746056

IUPAC3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCCC1(C)C)[B-](F)(F)F
InChIInChI=1S/C9H16BF3N/c1-8(10(11,12)13)7-14-6-4-5-9(14,2)3/h1,4-7H2,2-3H3/q-1
InChIKeySFLAPKDRFSXRJR-UHFFFAOYSA-N
MW206.04 g/mol
LogP2.80
Rot. Bonds3

About 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide

3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide (PubChem CID 106746056) has the molecular formula C9H16BF3N- and a molecular weight of 206.04 g/mol. Its IUPAC name is 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide.

Molecular Properties

Compound Name3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
PubChem CID106746056
Molecular FormulaC9H16BF3N-
Molecular Weight206.04 g/mol
Exact Mass206.13
IUPAC Name3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide
SMILESC=C(CN1CCCC1(C)C)[B-](F)(F)F
InChIInChI=1S/C9H16BF3N/c1-8(10(11,12)13)7-14-6-4-5-9(14,2)3/h1,4-7H2,2-3H3/q-1
InChIKeySFLAPKDRFSXRJR-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.04
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

potassium trifluoro-[3-(3-methoxy-3-methylpiperidin-1-yl)prop-1-en-2-yl]boranuide
CID 107394507
potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746003
(2R)-1-(2,2-dimethylpyrrolidin-1-yl)butan-2-ol
CID 130161383
3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanethioamide
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trifluoro(3-morpholin-4-ylprop-1-en-2-yl)boranuide
CID 56655901
1-(3-chloropropyl)-2,2-dimethylpyrrolidine
CID 23091634
5-(2,2-dimethylpyrrolidin-1-yl)pentan-2-one
CID 63217799
3-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropanimidamide
CID 63219822
3-(2,2-dimethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-one
CID 112679767
1-(2-isocyanoethyl)-2,2-dimethylpyrrolidine
CID 5137241
[1-[(2,2-dimethylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 63217988
2-(2,2-dimethylazetidin-1-yl)acetic acid
CID 130891071

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The IUPAC name of 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide (CID 106746056) is 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide.
What is the SMILES notation for 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The canonical SMILES for 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide is C=C(CN1CCCC1(C)C)[B-](F)(F)F.
What is the InChIKey of 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
The InChIKey is SFLAPKDRFSXRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BF3N/c1-8(10(11,12)13)7-14-6-4-5-9(14,2)3/h1,4-7H2,2-3H3/q-1.
What are the key properties of 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide?
3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide has a molecular weight of 206.04 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpyrrolidin-1-yl)prop-1-en-2-yl-trifluoroboranuide is sourced from PubChem (CID 106746056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).