(4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine

C14H20F2N2 — CID 175612118

IUPAC(4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine
SMILESC=C(/C=C1/C=CN=C(CC)C1NC(C)C)C(F)F
InChIInChI=1S/C14H20F2N2/c1-5-12-13(18-9(2)3)11(6-7-17-12)8-10(4)14(15)16/h6-9,13-14,18H,4-5H2,1-3H3/b11-8-
InChIKeyYQLJVWHADXQUDI-FLIBITNWSA-N
MW254.32 g/mol
LogP3.48
Rot. Bonds5

About (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine

(4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine (PubChem CID 175612118) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine.

Molecular Properties

Compound Name(4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine
PubChem CID175612118
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name(4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine
SMILESC=C(/C=C1/C=CN=C(CC)C1NC(C)C)C(F)F
InChIInChI=1S/C14H20F2N2/c1-5-12-13(18-9(2)3)11(6-7-17-12)8-10(4)14(15)16/h6-9,13-14,18H,4-5H2,1-3H3/b11-8-
InChIKeyYQLJVWHADXQUDI-FLIBITNWSA-N
XLogP3.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine?
The IUPAC name of (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine (CID 175612118) is (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine.
What is the SMILES notation for (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine?
The canonical SMILES for (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine is C=C(/C=C1/C=CN=C(CC)C1NC(C)C)C(F)F.
What is the InChIKey of (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine?
The InChIKey is YQLJVWHADXQUDI-FLIBITNWSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-5-12-13(18-9(2)3)11(6-7-17-12)8-10(4)14(15)16/h6-9,13-14,18H,4-5H2,1-3H3/b11-8-.
What are the key properties of (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine?
(4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine has a molecular weight of 254.32 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[2-(difluoromethyl)prop-2-enylidene]-2-ethyl-N-propan-2-yl-3H-pyridin-3-amine is sourced from PubChem (CID 175612118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).