(E)-4-fluoro-5,5-dimethylhex-3-enamide

C8H14FNO — CID 170048540

IUPAC(E)-4-fluoro-5,5-dimethylhex-3-enamide
SMILESCC(C)(C)/C(F)=C\CC(N)=O
InChIInChI=1S/C8H14FNO/c1-8(2,3)6(9)4-5-7(10)11/h4H,5H2,1-3H3,(H2,10,11)/b6-4+
InChIKeyCYNSWRIVEDSVIN-GQCTYLIASA-N
MW159.20 g/mol
LogP1.76
Rot. Bonds2

About (E)-4-fluoro-5,5-dimethylhex-3-enamide

(E)-4-fluoro-5,5-dimethylhex-3-enamide (PubChem CID 170048540) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (E)-4-fluoro-5,5-dimethylhex-3-enamide.

Molecular Properties

Compound Name(E)-4-fluoro-5,5-dimethylhex-3-enamide
PubChem CID170048540
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(E)-4-fluoro-5,5-dimethylhex-3-enamide
SMILESCC(C)(C)/C(F)=C\CC(N)=O
InChIInChI=1S/C8H14FNO/c1-8(2,3)6(9)4-5-7(10)11/h4H,5H2,1-3H3,(H2,10,11)/b6-4+
InChIKeyCYNSWRIVEDSVIN-GQCTYLIASA-N
XLogP1.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-5,5-dimethylhex-3-enamide?
The IUPAC name of (E)-4-fluoro-5,5-dimethylhex-3-enamide (CID 170048540) is (E)-4-fluoro-5,5-dimethylhex-3-enamide.
What is the SMILES notation for (E)-4-fluoro-5,5-dimethylhex-3-enamide?
The canonical SMILES for (E)-4-fluoro-5,5-dimethylhex-3-enamide is CC(C)(C)/C(F)=C\CC(N)=O.
What is the InChIKey of (E)-4-fluoro-5,5-dimethylhex-3-enamide?
The InChIKey is CYNSWRIVEDSVIN-GQCTYLIASA-N. The full InChI is InChI=1S/C8H14FNO/c1-8(2,3)6(9)4-5-7(10)11/h4H,5H2,1-3H3,(H2,10,11)/b6-4+.
What are the key properties of (E)-4-fluoro-5,5-dimethylhex-3-enamide?
(E)-4-fluoro-5,5-dimethylhex-3-enamide has a molecular weight of 159.20 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-5,5-dimethylhex-3-enamide is sourced from PubChem (CID 170048540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).