(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine

C10H12F2N2 — CID 130992574

IUPAC(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)C1CC(F)(F)C1
InChIInChI=1S/C10H12F2N2/c11-10(12)4-8(5-10)9(13)7-2-1-3-14-6-7/h1-3,6,8-9H,4-5,13H2
InChIKeyCZXXOSYRIQONRV-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.13
Rot. Bonds2

About (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine

(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine (PubChem CID 130992574) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
PubChem CID130992574
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)C1CC(F)(F)C1
InChIInChI=1S/C10H12F2N2/c11-10(12)4-8(5-10)9(13)7-2-1-3-14-6-7/h1-3,6,8-9H,4-5,13H2
InChIKeyCZXXOSYRIQONRV-UHFFFAOYSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-cyclohexyl(pyridin-3-yl)methanamine
CID 51888927
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
(3,4-dimethylcyclohexyl)-pyridin-3-ylmethanamine
CID 64738631
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
pyridin-3-yl(tetrazolidin-5-yl)methanamine
CID 76892923
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(1R)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171201503
(1S)-2-cyclopropyl-1-pyridin-3-ylethanamine;hydrochloride
CID 171221041
amino(pyridin-3-yl)methanethiol
CID 116939546
3-[1-(oxiran-2-yl)ethyl]pyridine
CID 22465341
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine?
The IUPAC name of (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine (CID 130992574) is (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine is NC(c1cccnc1)C1CC(F)(F)C1.
What is the InChIKey of (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine?
The InChIKey is CZXXOSYRIQONRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c11-10(12)4-8(5-10)9(13)7-2-1-3-14-6-7/h1-3,6,8-9H,4-5,13H2.
What are the key properties of (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine?
(3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine has a molecular weight of 198.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 130992574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).