2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid

C11H17F2NO2 — CID 162730153

IUPAC2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid
SMILESC=C(CC)N1CCC(CC(=O)O)C(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c1-3-8(2)14-5-4-9(6-10(15)16)11(12,13)7-14/h9H,2-7H2,1H3,(H,15,16)
InChIKeyFMODBIJQCPLHSK-UHFFFAOYSA-N
MW233.26 g/mol
LogP2.34
Rot. Bonds4

About 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid

2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid (PubChem CID 162730153) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid
PubChem CID162730153
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid
SMILESC=C(CC)N1CCC(CC(=O)O)C(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c1-3-8(2)14-5-4-9(6-10(15)16)11(12,13)7-14/h9H,2-7H2,1H3,(H,15,16)
InChIKeyFMODBIJQCPLHSK-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-cyanoethyl)-3,3-difluoropiperidine-1-carboxylic acid
CID 131988920
3,3-difluoro-4-(methylsulfonyloxymethyl)piperidine-1-carboxylic acid
CID 170430197
butyl 3,3-difluoro-4-(2-hydroxyethyl)piperidine-1-carboxylate
CID 131987268
tert-butyl (4S)-3,3-difluoro-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 134542927
4-(2-amino-3,3-dimethylbutyl)-3,3-difluoropiperidine-1-carboxylic acid
CID 175203164
tert-butyl (4R)-4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CID 97289962
ethyl 1-but-1-en-2-ylpiperidine-4-carboxylate
CID 129182819
2-[(3,3-difluoro-1-methylpiperidin-4-yl)methylsulfanyl]acetic acid
CID 142350707
2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
CID 117017328
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 117017329
2-(5,5-difluorothiepan-4-yl)acetic acid
CID 84781199
2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid
CID 117024642

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid?
The IUPAC name of 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid (CID 162730153) is 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid.
What is the SMILES notation for 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid?
The canonical SMILES for 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid is C=C(CC)N1CCC(CC(=O)O)C(F)(F)C1.
What is the InChIKey of 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid?
The InChIKey is FMODBIJQCPLHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c1-3-8(2)14-5-4-9(6-10(15)16)11(12,13)7-14/h9H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid?
2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid has a molecular weight of 233.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-1-en-2-yl-3,3-difluoropiperidin-4-yl)acetic acid is sourced from PubChem (CID 162730153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).