N-tert-butyl-4,5-difluoropyridin-2-amine

C9H12F2N2 — CID 138648802

IUPACN-tert-butyl-4,5-difluoropyridin-2-amine
SMILESCC(C)(C)Nc1cc(F)c(F)cn1
InChIInChI=1S/C9H12F2N2/c1-9(2,3)13-8-4-6(10)7(11)5-12-8/h4-5H,1-3H3,(H,12,13)
InChIKeyGJTIDELQAMVBSK-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.57
Rot. Bonds1

About N-tert-butyl-4,5-difluoropyridin-2-amine

N-tert-butyl-4,5-difluoropyridin-2-amine (PubChem CID 138648802) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is N-tert-butyl-4,5-difluoropyridin-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,5-difluoropyridin-2-amine
PubChem CID138648802
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC NameN-tert-butyl-4,5-difluoropyridin-2-amine
SMILESCC(C)(C)Nc1cc(F)c(F)cn1
InChIInChI=1S/C9H12F2N2/c1-9(2,3)13-8-4-6(10)7(11)5-12-8/h4-5H,1-3H3,(H,12,13)
InChIKeyGJTIDELQAMVBSK-UHFFFAOYSA-N
XLogP2.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-6-fluoropyrimidin-4-amine
CID 115416300
N-tert-butyl-4-fluoropyridin-2-amine
CID 138648443
N-tert-butyl-4-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 102545875
N-tert-butyl-1,6-naphthyridin-7-amine
CID 59316223
N-tert-butyl-6-(difluoromethyl)pyrimidin-4-amine
CID 126849068
N-tert-butyl-6-hydrazinylpyrimidin-4-amine
CID 80920027
N-tert-butyl-5-(2,6-difluorophenyl)-1H-pyrazol-3-amine
CID 63049032
4-N-tert-butyl-5-fluoro-2-N-methylpyrimidine-2,4-diamine
CID 80768846
(1S)-1-[6-(tert-butylamino)-4-methyl-3-pyridinyl]propan-1-ol
CID 124502181
5-[(1S)-1-aminopropyl]-N-tert-butyl-4-methylpyridin-2-amine
CID 124502187
4-N-tert-butyl-6-N-[2-(2-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861294
5-fluoro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 178093287

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,5-difluoropyridin-2-amine?
The IUPAC name of N-tert-butyl-4,5-difluoropyridin-2-amine (CID 138648802) is N-tert-butyl-4,5-difluoropyridin-2-amine.
What is the SMILES notation for N-tert-butyl-4,5-difluoropyridin-2-amine?
The canonical SMILES for N-tert-butyl-4,5-difluoropyridin-2-amine is CC(C)(C)Nc1cc(F)c(F)cn1.
What is the InChIKey of N-tert-butyl-4,5-difluoropyridin-2-amine?
The InChIKey is GJTIDELQAMVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-9(2,3)13-8-4-6(10)7(11)5-12-8/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-4,5-difluoropyridin-2-amine?
N-tert-butyl-4,5-difluoropyridin-2-amine has a molecular weight of 186.20 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,5-difluoropyridin-2-amine is sourced from PubChem (CID 138648802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).