N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine

C10H19F2N — CID 138569286

IUPACN-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine
SMILESCC(NC(C)(C)C)C1CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-7(13-9(2,3)4)8-5-10(11,12)6-8/h7-8,13H,5-6H2,1-4H3
InChIKeyHSHIIIBFYAYCPY-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.81
Rot. Bonds2

About N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine

N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine (PubChem CID 138569286) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine
PubChem CID138569286
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC NameN-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine
SMILESCC(NC(C)(C)C)C1CC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-7(13-9(2,3)4)8-5-10(11,12)6-8/h7-8,13H,5-6H2,1-4H3
InChIKeyHSHIIIBFYAYCPY-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine (CID 138569286) is N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine is CC(NC(C)(C)C)C1CC(F)(F)C1.
What is the InChIKey of N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine?
The InChIKey is HSHIIIBFYAYCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-7(13-9(2,3)4)8-5-10(11,12)6-8/h7-8,13H,5-6H2,1-4H3.
What are the key properties of N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine?
N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine has a molecular weight of 191.26 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-difluorocyclobutyl)ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 138569286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).