N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride

C7H14ClF2N — CID 155821531

IUPACN-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride
SMILESCCNCC1CC(F)(F)C1.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-2-10-5-6-3-7(8,9)4-6;/h6,10H,2-5H2,1H3;1H
InChIKeyKRLBTBWOHUOURR-UHFFFAOYSA-N
MW185.64 g/mol
LogP2.06
Rot. Bonds3

About N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride

N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride (PubChem CID 155821531) has the molecular formula C7H14ClF2N and a molecular weight of 185.64 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride
PubChem CID155821531
Molecular FormulaC7H14ClF2N
Molecular Weight185.64 g/mol
Exact Mass185.08
IUPAC NameN-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride
SMILESCCNCC1CC(F)(F)C1.Cl
InChIInChI=1S/C7H13F2N.ClH/c1-2-10-5-6-3-7(8,9)4-6;/h6,10H,2-5H2,1H3;1H
InChIKeyKRLBTBWOHUOURR-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.64
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride (CID 155821531) is N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride is CCNCC1CC(F)(F)C1.Cl.
What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride?
The InChIKey is KRLBTBWOHUOURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.ClH/c1-2-10-5-6-3-7(8,9)4-6;/h6,10H,2-5H2,1H3;1H.
What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride?
N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride has a molecular weight of 185.64 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclobutyl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 155821531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).