5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine

C14H19F2N — CID 157256732

IUPAC5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC(CC2CC(F)(F)C2)=CN1C(C)C
InChIInChI=1S/C14H19F2N/c1-10(2)17-9-12(5-4-11(17)3)6-13-7-14(15,16)8-13/h4-5,9-10,13H,3,6-8H2,1-2H3
InChIKeyPVRQMINQBVLPMH-UHFFFAOYSA-N
MW239.31 g/mol
LogP4.10
Rot. Bonds3

About 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine

5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine (PubChem CID 157256732) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine.

Molecular Properties

Compound Name5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine
PubChem CID157256732
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine
SMILESC=C1C=CC(CC2CC(F)(F)C2)=CN1C(C)C
InChIInChI=1S/C14H19F2N/c1-10(2)17-9-12(5-4-11(17)3)6-13-7-14(15,16)8-13/h4-5,9-10,13H,3,6-8H2,1-2H3
InChIKeyPVRQMINQBVLPMH-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine?
The IUPAC name of 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine (CID 157256732) is 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine.
What is the SMILES notation for 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine?
The canonical SMILES for 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine is C=C1C=CC(CC2CC(F)(F)C2)=CN1C(C)C.
What is the InChIKey of 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine?
The InChIKey is PVRQMINQBVLPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-10(2)17-9-12(5-4-11(17)3)6-13-7-14(15,16)8-13/h4-5,9-10,13H,3,6-8H2,1-2H3.
What are the key properties of 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine?
5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine has a molecular weight of 239.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclobutyl)methyl]-2-methylidene-1-propan-2-ylpyridine is sourced from PubChem (CID 157256732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).