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

C9H16FNO — CID 170068479

IUPAC(2Z)-2-(1-fluoroethylidene)-N-methylhexanamide
SMILESCCCC/C(C(=O)NC)=C(\C)F
InChIInChI=1S/C9H16FNO/c1-4-5-6-8(7(2)10)9(12)11-3/h4-6H2,1-3H3,(H,11,12)/b8-7-
InChIKeyGLVCJRCNOVOGGM-FPLPWBNLSA-N
MW173.23 g/mol
LogP2.17
Rot. Bonds4

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

(2Z)-2-(1-fluoroethylidene)-N-methylhexanamide (PubChem CID 170068479) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (2Z)-2-(1-fluoroethylidene)-N-methylhexanamide.

Molecular Properties

Compound Name(2Z)-2-(1-fluoroethylidene)-N-methylhexanamide
PubChem CID170068479
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(2Z)-2-(1-fluoroethylidene)-N-methylhexanamide
SMILESCCCC/C(C(=O)NC)=C(\C)F
InChIInChI=1S/C9H16FNO/c1-4-5-6-8(7(2)10)9(12)11-3/h4-6H2,1-3H3,(H,11,12)/b8-7-
InChIKeyGLVCJRCNOVOGGM-FPLPWBNLSA-N
XLogP2.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 52.17
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-methylhexanamide?
The IUPAC name of (2Z)-2-(1-fluoroethylidene)-N-methylhexanamide (CID 170068479) is (2Z)-2-(1-fluoroethylidene)-N-methylhexanamide.
What is the SMILES notation for (2Z)-2-(1-fluoroethylidene)-N-methylhexanamide?
The canonical SMILES for (2Z)-2-(1-fluoroethylidene)-N-methylhexanamide is CCCC/C(C(=O)NC)=C(\C)F.
What is the InChIKey of (2Z)-2-(1-fluoroethylidene)-N-methylhexanamide?
The InChIKey is GLVCJRCNOVOGGM-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H16FNO/c1-4-5-6-8(7(2)10)9(12)11-3/h4-6H2,1-3H3,(H,11,12)/b8-7-.
What are the key properties of (2Z)-2-(1-fluoroethylidene)-N-methylhexanamide?
(2Z)-2-(1-fluoroethylidene)-N-methylhexanamide has a molecular weight of 173.23 g/mol, XLogP of 2.17, 4 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-methylhexanamide is sourced from PubChem (CID 170068479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).