1-ethyl-3,3-difluorocyclobutan-1-amine

C6H11F2N — CID 115011285

IUPAC1-ethyl-3,3-difluorocyclobutan-1-amine
SMILESCCC1(N)CC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-2-5(9)3-6(7,8)4-5/h2-4,9H2,1H3
InChIKeyXRUQDICMLHPYAB-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.52
Rot. Bonds1

About 1-ethyl-3,3-difluorocyclobutan-1-amine

1-ethyl-3,3-difluorocyclobutan-1-amine (PubChem CID 115011285) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1-ethyl-3,3-difluorocyclobutan-1-amine.

Molecular Properties

Compound Name1-ethyl-3,3-difluorocyclobutan-1-amine
PubChem CID115011285
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1-ethyl-3,3-difluorocyclobutan-1-amine
SMILESCCC1(N)CC(F)(F)C1
InChIInChI=1S/C6H11F2N/c1-2-5(9)3-6(7,8)4-5/h2-4,9H2,1H3
InChIKeyXRUQDICMLHPYAB-UHFFFAOYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Trifluoromethyl)cyclobutan-1-amine hydrochloride
CID 53415776
1-(Difluoromethyl)cyclobutan-1-amine
CID 80610519
3,3-Difluoro-1-methylcyclobutanamine hydrochloride
CID 86811248
1-(Difluoromethyl)cyclobutan-1-amine hydrochloride
CID 134691140
1-(Trifluoromethyl)cyclobutan-1-amine
CID 50989630
1-(2,2-Difluoroethyl)cyclobutan-1-amine
CID 115011284
1-(2-Fluoroethyl)cyclobutan-1-amine hydrochloride
CID 146049870
3-(Trifluoromethyl)pentan-3-amine
CID 11263992
1-Ethylcyclobutan-1-amine
CID 53765090
3,3-Difluoro-1-methylcyclobutanamine
CID 72207926
3-Fluoro-1-methylcyclobutan-1-amine
CID 76619368
3-(Trifluoromethyl)hexan-3-amine
CID 108423234

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluorocyclobutan-1-amine?
The IUPAC name of 1-ethyl-3,3-difluorocyclobutan-1-amine (CID 115011285) is 1-ethyl-3,3-difluorocyclobutan-1-amine.
What is the SMILES notation for 1-ethyl-3,3-difluorocyclobutan-1-amine?
The canonical SMILES for 1-ethyl-3,3-difluorocyclobutan-1-amine is CCC1(N)CC(F)(F)C1.
What is the InChIKey of 1-ethyl-3,3-difluorocyclobutan-1-amine?
The InChIKey is XRUQDICMLHPYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-2-5(9)3-6(7,8)4-5/h2-4,9H2,1H3.
What are the key properties of 1-ethyl-3,3-difluorocyclobutan-1-amine?
1-ethyl-3,3-difluorocyclobutan-1-amine has a molecular weight of 135.16 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluorocyclobutan-1-amine is sourced from PubChem (CID 115011285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).