(3,3-difluorocyclobutyl)methylazanium

C5H10F2N+ — CID 86316028

IUPAC(3,3-difluorocyclobutyl)methylazanium
SMILES[NH3+]CC1CC(F)(F)C1
InChIInChI=1S/C5H9F2N/c6-5(7)1-4(2-5)3-8/h4H,1-3,8H2/p+1
InChIKeyBUVXADKKXYLSTP-UHFFFAOYSA-O
MW122.14 g/mol
LogP0.27
Rot. Bonds1

About (3,3-difluorocyclobutyl)methylazanium

(3,3-difluorocyclobutyl)methylazanium (PubChem CID 86316028) has the molecular formula C5H10F2N+ and a molecular weight of 122.14 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)methylazanium.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)methylazanium
PubChem CID86316028
Molecular FormulaC5H10F2N+
Molecular Weight122.14 g/mol
Exact Mass122.08
IUPAC Name(3,3-difluorocyclobutyl)methylazanium
SMILES[NH3+]CC1CC(F)(F)C1
InChIInChI=1S/C5H9F2N/c6-5(7)1-4(2-5)3-8/h4H,1-3,8H2/p+1
InChIKeyBUVXADKKXYLSTP-UHFFFAOYSA-O
XLogP0.27
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Cyclobutylmethylamine
CID 409746
1-(3-Fluorocyclobutyl)methanamine hydrochloride
CID 74889982
2-(3,3-Difluorocyclobutyl)ethan-1-amine hydrochloride
CID 90317583
3-(Difluoromethyl)cyclobutan-1-amine hydrochloride
CID 112756550
(3-Fluoro-3-methylcyclobutyl)methanamine
CID 115011081
(1s,3s)-3-(Trifluoromethyl)cyclobutan-1-amine hydrochloride
CID 119031446
(2,2-Difluorocyclobutyl)methanamine hydrochloride
CID 127263313
1-Cyclobutyl-2,2,2-trifluoroethan-1-amine hydrochloride
CID 135354981
3-(2,2,2-Trifluoroethyl)cyclobutan-1-amine hydrochloride
CID 138040508
1-(3,3-Difluorocyclobutyl)methanamine
CID 45480376
3-(Trifluoromethyl)cyclobutanamine
CID 50989715
(1R,2R)-2-(Trifluoromethyl)cyclobutan-1-amine
CID 52421051

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)methylazanium?
The IUPAC name of (3,3-difluorocyclobutyl)methylazanium (CID 86316028) is (3,3-difluorocyclobutyl)methylazanium.
What is the SMILES notation for (3,3-difluorocyclobutyl)methylazanium?
The canonical SMILES for (3,3-difluorocyclobutyl)methylazanium is [NH3+]CC1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)methylazanium?
The InChIKey is BUVXADKKXYLSTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9F2N/c6-5(7)1-4(2-5)3-8/h4H,1-3,8H2/p+1.
What are the key properties of (3,3-difluorocyclobutyl)methylazanium?
(3,3-difluorocyclobutyl)methylazanium has a molecular weight of 122.14 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)methylazanium is sourced from PubChem (CID 86316028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).