1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane

C9H17F2N — CID 177204403

IUPAC1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane
SMILESC=C(NC)C1CC(F)(F)C1.CC
InChIInChI=1S/C7H11F2N.C2H6/c1-5(10-2)6-3-7(8,9)4-6;1-2/h6,10H,1,3-4H2,2H3;1-2H3
InChIKeyQUIKNKNANZRKIG-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.79
Rot. Bonds2

About 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane

1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane (PubChem CID 177204403) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane
PubChem CID177204403
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane
SMILESC=C(NC)C1CC(F)(F)C1.CC
InChIInChI=1S/C7H11F2N.C2H6/c1-5(10-2)6-3-7(8,9)4-6;1-2/h6,10H,1,3-4H2,2H3;1-2H3
InChIKeyQUIKNKNANZRKIG-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane (CID 177204403) is 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane is C=C(NC)C1CC(F)(F)C1.CC.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane?
The InChIKey is QUIKNKNANZRKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.C2H6/c1-5(10-2)6-3-7(8,9)4-6;1-2/h6,10H,1,3-4H2,2H3;1-2H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane?
1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane has a molecular weight of 177.24 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-N-methylethenamine;ethane is sourced from PubChem (CID 177204403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).