N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine

C12H18F2N2 — CID 163599181

IUPACN-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine
SMILESC=C1C(NCC(C)(F)F)=CC=CN1C(C)C
InChIInChI=1S/C12H18F2N2/c1-9(2)16-7-5-6-11(10(16)3)15-8-12(4,13)14/h5-7,9,15H,3,8H2,1-2,4H3
InChIKeyUXFIPXQKRQLDTC-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.87
Rot. Bonds4

About N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine

N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine (PubChem CID 163599181) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine
PubChem CID163599181
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC NameN-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine
SMILESC=C1C(NCC(C)(F)F)=CC=CN1C(C)C
InChIInChI=1S/C12H18F2N2/c1-9(2)16-7-5-6-11(10(16)3)15-8-12(4,13)14/h5-7,9,15H,3,8H2,1-2,4H3
InChIKeyUXFIPXQKRQLDTC-UHFFFAOYSA-N
XLogP2.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine?
The IUPAC name of N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine (CID 163599181) is N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine.
What is the SMILES notation for N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine?
The canonical SMILES for N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine is C=C1C(NCC(C)(F)F)=CC=CN1C(C)C.
What is the InChIKey of N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine?
The InChIKey is UXFIPXQKRQLDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-9(2)16-7-5-6-11(10(16)3)15-8-12(4,13)14/h5-7,9,15H,3,8H2,1-2,4H3.
What are the key properties of N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine?
N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine has a molecular weight of 228.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoropropyl)-2-methylidene-1-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 163599181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).