3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine

C11H19F2N — CID 164660233

IUPAC3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1CCC1CC1(F)F
InChIInChI=1S/C11H19F2N/c1-10(2)7(5-9(10)14)3-4-8-6-11(8,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyIPSBPGLZKYVIGV-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.80
Rot. Bonds3

About 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine

3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine (PubChem CID 164660233) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine
PubChem CID164660233
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1CCC1CC1(F)F
InChIInChI=1S/C11H19F2N/c1-10(2)7(5-9(10)14)3-4-8-6-11(8,12)13/h7-9H,3-6,14H2,1-2H3
InChIKeyIPSBPGLZKYVIGV-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1S,3S)-3-amino-2,2-dimethylcyclobutyl]propanoic acid
CID 124656122
3-[(1R,3R)-3-amino-2,2-dimethylcyclobutyl]propanoic acid
CID 124656123
3-(3-amino-2,2-dimethylcyclobutyl)propanoic acid
CID 73094410
2-[(1R)-2,2-difluorocyclopropyl]ethanamine
CID 97296634
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
2,2,6,6-tetramethylbicyclo[3.1.0]hexan-3-amine
CID 59730599
3-(2,2-difluorocyclopropyl)propyl-methylazanium
CID 167468570
3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol
CID 129407915
2-(2,2-difluorocyclopropyl)acetyl chloride
CID 14458504
cis-(1S,3R)-3-amino-2,2-dimethylcyclobutan-1-ol
CID 97300410
3-(2,2-difluorocyclopropyl)-N-methylpropanamide
CID 175397167

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine (CID 164660233) is 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine is CC1(C)C(N)CC1CCC1CC1(F)F.
What is the InChIKey of 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine?
The InChIKey is IPSBPGLZKYVIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-10(2)7(5-9(10)14)3-4-8-6-11(8,12)13/h7-9H,3-6,14H2,1-2H3.
What are the key properties of 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine?
3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine has a molecular weight of 203.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 164660233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).