(2Z)-2-(1-fluoroethylidene)-N-methylpentanamide

C8H14FNO — CID 170067158

IUPAC(2Z)-2-(1-fluoroethylidene)-N-methylpentanamide
SMILESCCC/C(C(=O)NC)=C(\C)F
InChIInChI=1S/C8H14FNO/c1-4-5-7(6(2)9)8(11)10-3/h4-5H2,1-3H3,(H,10,11)/b7-6-
InChIKeyLBFBUKUNTMWWHK-SREVYHEPSA-N
MW159.20 g/mol
LogP1.78
Rot. Bonds3

About (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide

(2Z)-2-(1-fluoroethylidene)-N-methylpentanamide (PubChem CID 170067158) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide.

Molecular Properties

Compound Name(2Z)-2-(1-fluoroethylidene)-N-methylpentanamide
PubChem CID170067158
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name(2Z)-2-(1-fluoroethylidene)-N-methylpentanamide
SMILESCCC/C(C(=O)NC)=C(\C)F
InChIInChI=1S/C8H14FNO/c1-4-5-7(6(2)9)8(11)10-3/h4-5H2,1-3H3,(H,10,11)/b7-6-
InChIKeyLBFBUKUNTMWWHK-SREVYHEPSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide?
The IUPAC name of (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide (CID 170067158) is (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide.
What is the SMILES notation for (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide?
The canonical SMILES for (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide is CCC/C(C(=O)NC)=C(\C)F.
What is the InChIKey of (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide?
The InChIKey is LBFBUKUNTMWWHK-SREVYHEPSA-N. The full InChI is InChI=1S/C8H14FNO/c1-4-5-7(6(2)9)8(11)10-3/h4-5H2,1-3H3,(H,10,11)/b7-6-.
What are the key properties of (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide?
(2Z)-2-(1-fluoroethylidene)-N-methylpentanamide has a molecular weight of 159.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(1-fluoroethylidene)-N-methylpentanamide is sourced from PubChem (CID 170067158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).