3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride

C7H12ClF2N — CID 170918435

IUPAC3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride
SMILESCl.NC1CC(F)(F)C12CCC2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)4-5(10)6(7)2-1-3-6;/h5H,1-4,10H2;1H
InChIKeyHAAFFKZMIQMAIL-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.94
Rot. Bonds

About 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride

3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride (PubChem CID 170918435) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride
PubChem CID170918435
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride
SMILESCl.NC1CC(F)(F)C12CCC2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)4-5(10)6(7)2-1-3-6;/h5H,1-4,10H2;1H
InChIKeyHAAFFKZMIQMAIL-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-spiro[2.3]hexan-2-amine
CID 124508890
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine;hydrochloride
CID 72943152
spiro[2.3]hexan-2-amine
CID 55289803
6,6-difluorospiro[2.5]octan-2-amine;hydrochloride
CID 86276611
cis-(1R,2R)-2-chloro-2-fluorocyclopropan-1-amine
CID 72943153
3,3-difluorocyclohexan-1-amine;hydrochloride
CID 71711147
trans-(1S,2R)-2-ethoxy-2-methylcyclopropan-1-amine
CID 102199308
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
2,2-difluorospiro[2.5]octan-6-amine;hydrochloride
CID 121209137
(8R)-7,7-difluorospiro[2.5]octan-8-amine
CID 162559331
2'',2''-Difluoro-8'-azadispiro[cyclobutane-1,2'-bicyclo[3.2.1]octane-3',1''-cyclopropane]
CID 155892788
2,2-difluorocyclohexan-1-amine;formic acid
CID 126843056

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride?
The IUPAC name of 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride (CID 170918435) is 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride is Cl.NC1CC(F)(F)C12CCC2.
What is the InChIKey of 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride?
The InChIKey is HAAFFKZMIQMAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)4-5(10)6(7)2-1-3-6;/h5H,1-4,10H2;1H.
What are the key properties of 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride?
3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorospiro[3.3]heptan-1-amine;hydrochloride is sourced from PubChem (CID 170918435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).