5-(1,1-difluoroethyl)-2-propan-2-ylpyridine

C10H13F2N — CID 122532891

IUPAC5-(1,1-difluoroethyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(C)(F)F)cn1
InChIInChI=1S/C10H13F2N/c1-7(2)9-5-4-8(6-13-9)10(3,11)12/h4-7H,1-3H3
InChIKeyFXKPRDHQXRUSGQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP3.32
Rot. Bonds2

About 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine

5-(1,1-difluoroethyl)-2-propan-2-ylpyridine (PubChem CID 122532891) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2-propan-2-ylpyridine
PubChem CID122532891
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name5-(1,1-difluoroethyl)-2-propan-2-ylpyridine
SMILESCC(C)c1ccc(C(C)(F)F)cn1
InChIInChI=1S/C10H13F2N/c1-7(2)9-5-4-8(6-13-9)10(3,11)12/h4-7H,1-3H3
InChIKeyFXKPRDHQXRUSGQ-UHFFFAOYSA-N
XLogP3.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine?
The IUPAC name of 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine (CID 122532891) is 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine?
The canonical SMILES for 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine is CC(C)c1ccc(C(C)(F)F)cn1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine?
The InChIKey is FXKPRDHQXRUSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7(2)9-5-4-8(6-13-9)10(3,11)12/h4-7H,1-3H3.
What are the key properties of 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine?
5-(1,1-difluoroethyl)-2-propan-2-ylpyridine has a molecular weight of 185.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2-propan-2-ylpyridine is sourced from PubChem (CID 122532891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).