(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride

C7H10ClF2NO2 — CID 162760358

IUPAC(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC2(CN1)CC2(F)F
InChIInChI=1S/C7H9F2NO2.ClH/c8-7(9)2-6(7)1-4(5(11)12)10-3-6;/h4,10H,1-3H2,(H,11,12);1H/t4-,6?;/m0./s1
InChIKeyKCIRXUOTTPJOLG-DVEYIJETSA-N
MW213.61 g/mol
LogP0.88
Rot. Bonds1

About (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride

(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride (PubChem CID 162760358) has the molecular formula C7H10ClF2NO2 and a molecular weight of 213.61 g/mol. Its IUPAC name is (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
PubChem CID162760358
Molecular FormulaC7H10ClF2NO2
Molecular Weight213.61 g/mol
Exact Mass213.04
IUPAC Name(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1CC2(CN1)CC2(F)F
InChIInChI=1S/C7H9F2NO2.ClH/c8-7(9)2-6(7)1-4(5(11)12)10-3-6;/h4,10H,1-3H2,(H,11,12);1H/t4-,6?;/m0./s1
InChIKeyKCIRXUOTTPJOLG-DVEYIJETSA-N
XLogP0.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.61
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride?
The IUPAC name of (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride (CID 162760358) is (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride.
What is the SMILES notation for (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride?
The canonical SMILES for (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1CC2(CN1)CC2(F)F.
What is the InChIKey of (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride?
The InChIKey is KCIRXUOTTPJOLG-DVEYIJETSA-N. The full InChI is InChI=1S/C7H9F2NO2.ClH/c8-7(9)2-6(7)1-4(5(11)12)10-3-6;/h4,10H,1-3H2,(H,11,12);1H/t4-,6?;/m0./s1.
What are the key properties of (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride?
(6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride has a molecular weight of 213.61 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2,2-difluoro-5-azaspiro[2.4]heptane-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 162760358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).