(1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride

C6H10ClF4N — CID 155820879

IUPAC(1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](C(F)F)C1CC(F)(F)C1
InChIInChI=1S/C6H9F4N.ClH/c7-5(8)4(11)3-1-6(9,10)2-3;/h3-5H,1-2,11H2;1H/t4-;/m1./s1
InChIKeyYWEWZGPDQNKAGA-PGMHMLKASA-N
MW207.60 g/mol
LogP2.05
Rot. Bonds2

About (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride

(1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride (PubChem CID 155820879) has the molecular formula C6H10ClF4N and a molecular weight of 207.60 g/mol. Its IUPAC name is (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride
PubChem CID155820879
Molecular FormulaC6H10ClF4N
Molecular Weight207.60 g/mol
Exact Mass207.04
IUPAC Name(1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride
SMILESCl.N[C@@H](C(F)F)C1CC(F)(F)C1
InChIInChI=1S/C6H9F4N.ClH/c7-5(8)4(11)3-1-6(9,10)2-3;/h3-5H,1-2,11H2;1H/t4-;/m1./s1
InChIKeyYWEWZGPDQNKAGA-PGMHMLKASA-N
XLogP2.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.60
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride (CID 155820879) is (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride is Cl.N[C@@H](C(F)F)C1CC(F)(F)C1.
What is the InChIKey of (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride?
The InChIKey is YWEWZGPDQNKAGA-PGMHMLKASA-N. The full InChI is InChI=1S/C6H9F4N.ClH/c7-5(8)4(11)3-1-6(9,10)2-3;/h3-5H,1-2,11H2;1H/t4-;/m1./s1.
What are the key properties of (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride?
(1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride has a molecular weight of 207.60 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3,3-difluorocyclobutyl)-2,2-difluoroethanamine;hydrochloride is sourced from PubChem (CID 155820879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).