2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane

C14H25F2NO — CID 143897088

IUPAC2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane
SMILESC/C=C\C=C(/C)CC(C)NC(=O)C(C)(F)F.CC
InChIInChI=1S/C12H19F2NO.C2H6/c1-5-6-7-9(2)8-10(3)15-11(16)12(4,13)14;1-2/h5-7,10H,8H2,1-4H3,(H,15,16);1-2H3/b6-5-,9-7+;
InChIKeyDKCWTDSTANQRIP-HMERWLGPSA-N
MW261.36 g/mol
LogP4.09
Rot. Bonds5

About 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane

2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane (PubChem CID 143897088) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane.

Molecular Properties

Compound Name2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane
PubChem CID143897088
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane
SMILESC/C=C\C=C(/C)CC(C)NC(=O)C(C)(F)F.CC
InChIInChI=1S/C12H19F2NO.C2H6/c1-5-6-7-9(2)8-10(3)15-11(16)12(4,13)14;1-2/h5-7,10H,8H2,1-4H3,(H,15,16);1-2H3/b6-5-,9-7+;
InChIKeyDKCWTDSTANQRIP-HMERWLGPSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane?
The IUPAC name of 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane (CID 143897088) is 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane.
What is the SMILES notation for 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane?
The canonical SMILES for 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane is C/C=C\C=C(/C)CC(C)NC(=O)C(C)(F)F.CC.
What is the InChIKey of 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane?
The InChIKey is DKCWTDSTANQRIP-HMERWLGPSA-N. The full InChI is InChI=1S/C12H19F2NO.C2H6/c1-5-6-7-9(2)8-10(3)15-11(16)12(4,13)14;1-2/h5-7,10H,8H2,1-4H3,(H,15,16);1-2H3/b6-5-,9-7+;.
What are the key properties of 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane?
2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane has a molecular weight of 261.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(4E,6Z)-4-methylocta-4,6-dien-2-yl]propanamide;ethane is sourced from PubChem (CID 143897088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).