3-(difluoromethoxy)cyclobutan-1-amine

C5H9F2NO — CID 114782804

IUPAC3-(difluoromethoxy)cyclobutan-1-amine
SMILESNC1CC(OC(F)F)C1
InChIInChI=1S/C5H9F2NO/c6-5(7)9-4-1-3(8)2-4/h3-5H,1-2,8H2
InChIKeyXCETWYZHGSROBO-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.72
Rot. Bonds2

About 3-(difluoromethoxy)cyclobutan-1-amine

3-(difluoromethoxy)cyclobutan-1-amine (PubChem CID 114782804) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is 3-(difluoromethoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(difluoromethoxy)cyclobutan-1-amine
PubChem CID114782804
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name3-(difluoromethoxy)cyclobutan-1-amine
SMILESNC1CC(OC(F)F)C1
InChIInChI=1S/C5H9F2NO/c6-5(7)9-4-1-3(8)2-4/h3-5H,1-2,8H2
InChIKeyXCETWYZHGSROBO-UHFFFAOYSA-N
XLogP0.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxycyclobutanamine
CID 53302285
(1r,3r)-3-(Trifluoromethoxy)cyclobutan-1-amine hydrochloride
CID 146082149
3-(2,2-Difluoroethoxy)cyclobutan-1-amine;hydrochloride
CID 177801171
(1r,3r)-3-(2,2-Difluoroethoxy)cyclobutan-1-amine
CID 65981548
N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 66356960
(1r,3r)-3-(2-Fluoroethoxy)cyclobutan-1-amine
CID 80696590
cis-3-(Trifluoromethoxy)cyclobutanamine
CID 146082150
N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine
CID 155122293
N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155122294
(2S)-1,1,1,5,5,5-hexafluoro-4-methoxypentan-2-amine
CID 164536517
1,1,1,5,5,5-Hexafluoro-4-methoxypentan-2-amine
CID 167116988
N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 170420954

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)cyclobutan-1-amine?
The IUPAC name of 3-(difluoromethoxy)cyclobutan-1-amine (CID 114782804) is 3-(difluoromethoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(difluoromethoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(difluoromethoxy)cyclobutan-1-amine is NC1CC(OC(F)F)C1.
What is the InChIKey of 3-(difluoromethoxy)cyclobutan-1-amine?
The InChIKey is XCETWYZHGSROBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c6-5(7)9-4-1-3(8)2-4/h3-5H,1-2,8H2.
What are the key properties of 3-(difluoromethoxy)cyclobutan-1-amine?
3-(difluoromethoxy)cyclobutan-1-amine has a molecular weight of 137.13 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)cyclobutan-1-amine is sourced from PubChem (CID 114782804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).