(3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine

C10H13FN2 — CID 118498130

IUPAC(3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine
SMILESNCC1(c2ccccn2)CC(F)C1
InChIInChI=1S/C10H13FN2/c11-8-5-10(6-8,7-12)9-3-1-2-4-13-9/h1-4,8H,5-7,12H2
InChIKeyQDINRLFYMJPNJU-UHFFFAOYSA-N
MW180.23 g/mol
LogP1.41
Rot. Bonds2

About (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine

(3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine (PubChem CID 118498130) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine.

Molecular Properties

Compound Name(3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine
PubChem CID118498130
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name(3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine
SMILESNCC1(c2ccccn2)CC(F)C1
InChIInChI=1S/C10H13FN2/c11-8-5-10(6-8,7-12)9-3-1-2-4-13-9/h1-4,8H,5-7,12H2
InChIKeyQDINRLFYMJPNJU-UHFFFAOYSA-N
XLogP1.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine?
The IUPAC name of (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine (CID 118498130) is (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine.
What is the SMILES notation for (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine?
The canonical SMILES for (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine is NCC1(c2ccccn2)CC(F)C1.
What is the InChIKey of (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine?
The InChIKey is QDINRLFYMJPNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c11-8-5-10(6-8,7-12)9-3-1-2-4-13-9/h1-4,8H,5-7,12H2.
What are the key properties of (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine?
(3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine has a molecular weight of 180.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-pyridin-2-ylcyclobutyl)methanamine is sourced from PubChem (CID 118498130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).