2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride

C6H10ClF2N — CID 45158910

IUPAC2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride
SMILESCl.FC1(F)CC12CCNC2
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)3-5(6)1-2-9-4-5;/h9H,1-4H2;1H
InChIKeyMMTHPQJBBHOCRW-UHFFFAOYSA-N
MW169.60 g/mol
LogP1.43
Rot. Bonds

About 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride

2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride (PubChem CID 45158910) has the molecular formula C6H10ClF2N and a molecular weight of 169.60 g/mol. Its IUPAC name is 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride.

Molecular Properties

Compound Name2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride
PubChem CID45158910
Molecular FormulaC6H10ClF2N
Molecular Weight169.60 g/mol
Exact Mass169.05
IUPAC Name2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride
SMILESCl.FC1(F)CC12CCNC2
InChIInChI=1S/C6H9F2N.ClH/c7-6(8)3-5(6)1-2-9-4-5;/h9H,1-4H2;1H
InChIKeyMMTHPQJBBHOCRW-UHFFFAOYSA-N
XLogP1.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.60
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5S,6S)-6-(trifluoromethyl)-3-azabicyclo(3.1.0)hexane hydrochloride
CID 45792565
3-(2,2,2-Trifluoroethyl)pyrrolidine hydrochloride
CID 50988606
1,1-Difluoro-6-azaspiro(2.5)octane hydrochloride
CID 67608291
5-Azaspiro[2.4]heptane hydrochloride
CID 70700605
3-Methyl-3-(trifluoromethyl)pyrrolidine hydrochloride
CID 105443984
3-(2,2-Difluorocyclopropyl)pyrrolidine hydrochloride
CID 126845674
3-(2,2-Difluoroethyl)pyrrolidine hydrochloride
CID 137965821
2,2-Difluoro-6-azaspiro(3.4)octane;hydrochloride
CID 146082221
(3R)-3-(1,1-Difluoroethyl)pyrrolidine hydrochloride
CID 154810010
(S)-3-(1,1-Difluoroethyl)pyrrolidine hydrochloride
CID 154810162
7,7-Difluoro-5-azaspiro(2.4)heptane hydrochloride
CID 154828534
5-Azaspiro(2.4)heptane
CID 21923103

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride?
The IUPAC name of 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride (CID 45158910) is 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride.
What is the SMILES notation for 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride?
The canonical SMILES for 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride is Cl.FC1(F)CC12CCNC2.
What is the InChIKey of 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride?
The InChIKey is MMTHPQJBBHOCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N.ClH/c7-6(8)3-5(6)1-2-9-4-5;/h9H,1-4H2;1H.
What are the key properties of 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride?
2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride has a molecular weight of 169.60 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-azaspiro[2.4]heptane;hydrochloride is sourced from PubChem (CID 45158910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).