4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine

C9H15F2N3 — CID 154277795

IUPAC4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine
SMILESCC(C(C)(F)F)C1(N)C=CN=CC1N
InChIInChI=1S/C9H15F2N3/c1-6(8(2,10)11)9(13)3-4-14-5-7(9)12/h3-7H,12-13H2,1-2H3
InChIKeyMTCQFLDBBUARGU-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.90
Rot. Bonds2

About 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine

4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine (PubChem CID 154277795) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine.

Molecular Properties

Compound Name4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine
PubChem CID154277795
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine
SMILESCC(C(C)(F)F)C1(N)C=CN=CC1N
InChIInChI=1S/C9H15F2N3/c1-6(8(2,10)11)9(13)3-4-14-5-7(9)12/h3-7H,12-13H2,1-2H3
InChIKeyMTCQFLDBBUARGU-UHFFFAOYSA-N
XLogP0.90
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2,2-trifluoroethyl)-3H-pyridine-3,4-diamine
CID 164913660
4-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine
CID 154138792
4-[(2R)-1,1,1-trifluoropropan-2-yl]-3H-pyridine-3,4-diamine
CID 154152763
4-(1,1,1-trifluoropropan-2-yl)-3H-pyridine-3,4-diamine
CID 158232670
3-(3,4-Dihydropyridin-3-yl)-3,3-difluoropropan-1-amine
CID 162599461
4-(cyclopropylmethyl)-3H-pyridine-3,4-diamine
CID 142997134
4-cyclopropyl-3H-pyridine-3,4-diamine
CID 154111024

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine?
The IUPAC name of 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine (CID 154277795) is 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine.
What is the SMILES notation for 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine?
The canonical SMILES for 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine is CC(C(C)(F)F)C1(N)C=CN=CC1N.
What is the InChIKey of 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine?
The InChIKey is MTCQFLDBBUARGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-6(8(2,10)11)9(13)3-4-14-5-7(9)12/h3-7H,12-13H2,1-2H3.
What are the key properties of 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine?
4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine has a molecular weight of 203.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutan-2-yl)-3H-pyridine-3,4-diamine is sourced from PubChem (CID 154277795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).