2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine

C14H19F2N — CID 166876800

IUPAC2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine
SMILESC/C=C(/c1ncccc1CCC)C(F)(F)CC
InChIInChI=1S/C14H19F2N/c1-4-8-11-9-7-10-17-13(11)12(5-2)14(15,16)6-3/h5,7,9-10H,4,6,8H2,1-3H3/b12-5-
InChIKeyHDVSUGJAIHPLBX-XGICHPGQSA-N
MW239.31 g/mol
LogP4.48
Rot. Bonds5

About 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine

2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine (PubChem CID 166876800) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine.

Molecular Properties

Compound Name2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine
PubChem CID166876800
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine
SMILESC/C=C(/c1ncccc1CCC)C(F)(F)CC
InChIInChI=1S/C14H19F2N/c1-4-8-11-9-7-10-17-13(11)12(5-2)14(15,16)6-3/h5,7,9-10H,4,6,8H2,1-3H3/b12-5-
InChIKeyHDVSUGJAIHPLBX-XGICHPGQSA-N
XLogP4.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine?
The IUPAC name of 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine (CID 166876800) is 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine.
What is the SMILES notation for 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine?
The canonical SMILES for 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine is C/C=C(/c1ncccc1CCC)C(F)(F)CC.
What is the InChIKey of 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine?
The InChIKey is HDVSUGJAIHPLBX-XGICHPGQSA-N. The full InChI is InChI=1S/C14H19F2N/c1-4-8-11-9-7-10-17-13(11)12(5-2)14(15,16)6-3/h5,7,9-10H,4,6,8H2,1-3H3/b12-5-.
What are the key properties of 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine?
2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine has a molecular weight of 239.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-4,4-difluorohex-2-en-3-yl]-3-propylpyridine is sourced from PubChem (CID 166876800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).