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

C10H18FNO — CID 170067160

IUPAC(2Z)-2-(1-fluoroethylidene)-N-methylheptanamide
SMILESCCCCC/C(C(=O)NC)=C(\C)F
InChIInChI=1S/C10H18FNO/c1-4-5-6-7-9(8(2)11)10(13)12-3/h4-7H2,1-3H3,(H,12,13)/b9-8-
InChIKeyTVDPQJWUWQWYFM-HJWRWDBZSA-N
MW187.26 g/mol
LogP2.56
Rot. Bonds5

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

(2Z)-2-(1-fluoroethylidene)-N-methylheptanamide (PubChem CID 170067160) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (2Z)-2-(1-fluoroethylidene)-N-methylheptanamide.

Molecular Properties

Compound Name(2Z)-2-(1-fluoroethylidene)-N-methylheptanamide
PubChem CID170067160
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(2Z)-2-(1-fluoroethylidene)-N-methylheptanamide
SMILESCCCCC/C(C(=O)NC)=C(\C)F
InChIInChI=1S/C10H18FNO/c1-4-5-6-7-9(8(2)11)10(13)12-3/h4-7H2,1-3H3,(H,12,13)/b9-8-
InChIKeyTVDPQJWUWQWYFM-HJWRWDBZSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methylheptanamide?
The IUPAC name of (2Z)-2-(1-fluoroethylidene)-N-methylheptanamide (CID 170067160) is (2Z)-2-(1-fluoroethylidene)-N-methylheptanamide.
What is the SMILES notation for (2Z)-2-(1-fluoroethylidene)-N-methylheptanamide?
The canonical SMILES for (2Z)-2-(1-fluoroethylidene)-N-methylheptanamide is CCCCC/C(C(=O)NC)=C(\C)F.
What is the InChIKey of (2Z)-2-(1-fluoroethylidene)-N-methylheptanamide?
The InChIKey is TVDPQJWUWQWYFM-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-5-6-7-9(8(2)11)10(13)12-3/h4-7H2,1-3H3,(H,12,13)/b9-8-.
What are the key properties of (2Z)-2-(1-fluoroethylidene)-N-methylheptanamide?
(2Z)-2-(1-fluoroethylidene)-N-methylheptanamide has a molecular weight of 187.26 g/mol, XLogP of 2.56, 5 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-methylheptanamide is sourced from PubChem (CID 170067160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).