N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine

C14H22F2N2 — CID 87337877

IUPACN,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine
SMILESCC(C)(C)Nc1nccc(C(F)F)c1C(C)(C)C
InChIInChI=1S/C14H22F2N2/c1-13(2,3)10-9(11(15)16)7-8-17-12(10)18-14(4,5)6/h7-8,11H,1-6H3,(H,17,18)
InChIKeyUAXXUKJIIHJJFL-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.53
Rot. Bonds2

About N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine

N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine (PubChem CID 87337877) has the molecular formula C14H22F2N2 and a molecular weight of 256.34 g/mol. Its IUPAC name is N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine
PubChem CID87337877
Molecular FormulaC14H22F2N2
Molecular Weight256.34 g/mol
Exact Mass256.18
IUPAC NameN,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine
SMILESCC(C)(C)Nc1nccc(C(F)F)c1C(C)(C)C
InChIInChI=1S/C14H22F2N2/c1-13(2,3)10-9(11(15)16)7-8-17-12(10)18-14(4,5)6/h7-8,11H,1-6H3,(H,17,18)
InChIKeyUAXXUKJIIHJJFL-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine?
The IUPAC name of N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine (CID 87337877) is N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine.
What is the SMILES notation for N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine?
The canonical SMILES for N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine is CC(C)(C)Nc1nccc(C(F)F)c1C(C)(C)C.
What is the InChIKey of N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine?
The InChIKey is UAXXUKJIIHJJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N2/c1-13(2,3)10-9(11(15)16)7-8-17-12(10)18-14(4,5)6/h7-8,11H,1-6H3,(H,17,18).
What are the key properties of N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine?
N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine has a molecular weight of 256.34 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-ditert-butyl-4-(difluoromethyl)pyridin-2-amine is sourced from PubChem (CID 87337877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).