3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine

C11H14F4N2O — CID 103183120

IUPAC3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine
SMILESCc1cnc(COCC(F)(F)C(F)F)c(C)c1N
InChIInChI=1S/C11H14F4N2O/c1-6-3-17-8(7(2)9(6)16)4-18-5-11(14,15)10(12)13/h3,10H,4-5H2,1-2H3,(H2,16,17)
InChIKeyIHSJORXIWWVZLN-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.70
Rot. Bonds5

About 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine

3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine (PubChem CID 103183120) has the molecular formula C11H14F4N2O and a molecular weight of 266.24 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine
PubChem CID103183120
Molecular FormulaC11H14F4N2O
Molecular Weight266.24 g/mol
Exact Mass266.10
IUPAC Name3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine
SMILESCc1cnc(COCC(F)(F)C(F)F)c(C)c1N
InChIInChI=1S/C11H14F4N2O/c1-6-3-17-8(7(2)9(6)16)4-18-5-11(14,15)10(12)13/h3,10H,4-5H2,1-2H3,(H2,16,17)
InChIKeyIHSJORXIWWVZLN-UHFFFAOYSA-N
XLogP2.70
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

CID 142021
CID 142021
CID 71712916
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CID 142590989
CID 142590989
CID 91659015
CID 91659015
CID 97182182
CID 97182182
CID 121013056
CID 121013056
CID 134159315
CID 134159315
CID 134861247
CID 134861247
CID 154725601
CID 154725601
CID 162396709
CID 162396709
CID 176438462
CID 176438462

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine?
The IUPAC name of 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine (CID 103183120) is 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine.
What is the SMILES notation for 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine?
The canonical SMILES for 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine is Cc1cnc(COCC(F)(F)C(F)F)c(C)c1N.
What is the InChIKey of 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine?
The InChIKey is IHSJORXIWWVZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O/c1-6-3-17-8(7(2)9(6)16)4-18-5-11(14,15)10(12)13/h3,10H,4-5H2,1-2H3,(H2,16,17).
What are the key properties of 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine?
3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine has a molecular weight of 266.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyridin-4-amine is sourced from PubChem (CID 103183120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).