(3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride

C8H14ClF2N — CID 155820130

IUPAC(3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride
SMILESCl.NCC1CC(F)(F)C12CCC2
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)4-6(5-11)7(8)2-1-3-7;/h6H,1-5,11H2;1H
InChIKeyORFDOCZFURUODO-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.19
Rot. Bonds1

About (3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride

(3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride (PubChem CID 155820130) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is (3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride
PubChem CID155820130
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name(3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride
SMILESCl.NCC1CC(F)(F)C12CCC2
InChIInChI=1S/C8H13F2N.ClH/c9-8(10)4-6(5-11)7(8)2-1-3-7;/h6H,1-5,11H2;1H
InChIKeyORFDOCZFURUODO-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride?
The IUPAC name of (3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride (CID 155820130) is (3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride.
What is the SMILES notation for (3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride?
The canonical SMILES for (3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride is Cl.NCC1CC(F)(F)C12CCC2.
What is the InChIKey of (3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride?
The InChIKey is ORFDOCZFURUODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c9-8(10)4-6(5-11)7(8)2-1-3-7;/h6H,1-5,11H2;1H.
What are the key properties of (3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride?
(3,3-difluorospiro[3.3]heptan-1-yl)methanamine;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 2.19, 1 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-yl)methanamine;hydrochloride is sourced from PubChem (CID 155820130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).