1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine

C10H15F2NO — CID 130920826

IUPAC1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)C1CC(F)(F)C1
InChIInChI=1S/C10H15F2NO/c1-13-9(8-3-2-4-14-8)7-5-10(11,12)6-7/h3,7,9,13H,2,4-6H2,1H3
InChIKeyMTFSGCMZKUHQLU-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.92
Rot. Bonds3

About 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine

1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine (PubChem CID 130920826) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
PubChem CID130920826
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
SMILESCNC(C1=CCCO1)C1CC(F)(F)C1
InChIInChI=1S/C10H15F2NO/c1-13-9(8-3-2-4-14-8)7-5-10(11,12)6-7/h3,7,9,13H,2,4-6H2,1H3
InChIKeyMTFSGCMZKUHQLU-UHFFFAOYSA-N
XLogP1.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydrofuran-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102651937
1-(4,4-difluorocyclohexyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652898
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]methanamine
CID 102653661
1-(2,3-dihydrofuran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 102653769
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 102653779
N-[(4,4-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]propan-1-amine
CID 102653789
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 113801500
N-[(3,3-difluorocyclohexyl)-(2,3-dihydrofuran-5-yl)methyl]ethanamine
CID 114216076
1-cyclobutyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647502
N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647503
N-[cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647504
1-(2,3-dihydrofuran-5-yl)-N,4-dimethylpentan-1-amine
CID 102651370

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine (CID 130920826) is 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine is CNC(C1=CCCO1)C1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
The InChIKey is MTFSGCMZKUHQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-13-9(8-3-2-4-14-8)7-5-10(11,12)6-7/h3,7,9,13H,2,4-6H2,1H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine?
1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine has a molecular weight of 203.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine is sourced from PubChem (CID 130920826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).