(3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine

C10H13F2NO — CID 130847317

IUPAC(3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine
SMILESCc1cocc1C(N)C1CC(F)(F)C1
InChIInChI=1S/C10H13F2NO/c1-6-4-14-5-8(6)9(13)7-2-10(11,12)3-7/h4-5,7,9H,2-3,13H2,1H3
InChIKeyRQYUSGWOLCIWOD-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.63
Rot. Bonds2

About (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine

(3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine (PubChem CID 130847317) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine
PubChem CID130847317
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine
SMILESCc1cocc1C(N)C1CC(F)(F)C1
InChIInChI=1S/C10H13F2NO/c1-6-4-14-5-8(6)9(13)7-2-10(11,12)3-7/h4-5,7,9H,2-3,13H2,1H3
InChIKeyRQYUSGWOLCIWOD-UHFFFAOYSA-N
XLogP2.63
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylfuran-3-yl)-(3-methyloxolan-2-yl)methanamine
CID 131145604
2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
CID 126971495
(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
CID 130992574
(4,4-difluorocyclohexyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142839
[2,2-difluoro-1-(4-methylfuran-3-yl)propyl]hydrazine
CID 130847574
(2,3-difluoro-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanamine
CID 107515949
(3,3-difluorocyclopentyl)-(2-propan-2-yl-1,2,4-triazol-3-yl)methanamine
CID 112744593
1-(3,3-difluorocyclobutyl)ethylhydrazine
CID 130847643
3,6-dichloro-4-[1-(3,3-difluorocyclobutyl)ethyl]pyridazine
CID 155268324
(2,3-difluoro-4-methylphenyl)-(4,4-dimethylcyclohexyl)methanamine
CID 107513467
1-(3,3-difluorocyclobutyl)prop-2-en-1-amine
CID 130995610
(2,4-difluoro-5-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052755

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine?
The IUPAC name of (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine (CID 130847317) is (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine?
The canonical SMILES for (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine is Cc1cocc1C(N)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine?
The InChIKey is RQYUSGWOLCIWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6-4-14-5-8(6)9(13)7-2-10(11,12)3-7/h4-5,7,9H,2-3,13H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine?
(3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine has a molecular weight of 201.22 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine is sourced from PubChem (CID 130847317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).