4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid

C9H14F3NO2 — CID 18446276

IUPAC4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(CCC(F)F)CCN1
InChIInChI=1S/C9H14F3NO2/c10-7(11)1-2-9(12)3-4-13-6(5-9)8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyNCNOHXBYXCMLLD-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.58
Rot. Bonds4

About 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid

4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid (PubChem CID 18446276) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid
PubChem CID18446276
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid
SMILESO=C(O)C1CC(F)(CCC(F)F)CCN1
InChIInChI=1S/C9H14F3NO2/c10-7(11)1-2-9(12)3-4-13-6(5-9)8(14)15/h6-7,13H,1-5H2,(H,14,15)
InChIKeyNCNOHXBYXCMLLD-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Piperidinedicarboxylic acid
CID 557515
(2R,4R)-4-methylpiperidine-2-carboxylic acid
CID 5288786
cis-Piperidine-2,6-dicarboxylic acid
CID 10942932
NoName_3265
CID 3815667
8-Azaspiro[4.5]decane-7-carboxylic acid
CID 105440619
4,4-Difluoropiperidine-2-carboxylic acid hydrochloride
CID 137468597
(2S,4S)-4-Methylpiperidine-2-carboxylic acid
CID 44631639
4-Methylpiperidine-2-carboxylic acid
CID 4478243
4,4-dimethylpiperidine-2-carboxylic Acid
CID 10487130
(2S,4R)-4-methylpipecolic acid
CID 56976029
4,4-Difluoropiperidine-2-carboxylic acid
CID 75088982
3-(Trifluoromethyl)piperidine-2-carboxylic acid
CID 90425102

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid?
The IUPAC name of 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid (CID 18446276) is 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid.
What is the SMILES notation for 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid?
The canonical SMILES for 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid is O=C(O)C1CC(F)(CCC(F)F)CCN1.
What is the InChIKey of 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid?
The InChIKey is NCNOHXBYXCMLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-7(11)1-2-9(12)3-4-13-6(5-9)8(14)15/h6-7,13H,1-5H2,(H,14,15).
What are the key properties of 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid?
4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid has a molecular weight of 225.21 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropropyl)-4-fluoropiperidine-2-carboxylic acid is sourced from PubChem (CID 18446276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).