N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide

C10H14FNO — CID 143496393

IUPACN-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide
SMILESC/C=C(\C=C/C(F)=C/CC)NC=O
InChIInChI=1S/C10H14FNO/c1-3-5-9(11)6-7-10(4-2)12-8-13/h4-8H,3H2,1-2H3,(H,12,13)/b7-6-,9-5-,10-4+
InChIKeyONLZNUAINYZCFR-UUBGPHPLSA-N
MW183.23 g/mol
LogP2.46
Rot. Bonds5

About N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide

N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide (PubChem CID 143496393) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide.

Molecular Properties

Compound NameN-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide
PubChem CID143496393
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide
SMILESC/C=C(\C=C/C(F)=C/CC)NC=O
InChIInChI=1S/C10H14FNO/c1-3-5-9(11)6-7-10(4-2)12-8-13/h4-8H,3H2,1-2H3,(H,12,13)/b7-6-,9-5-,10-4+
InChIKeyONLZNUAINYZCFR-UUBGPHPLSA-N
XLogP2.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide?
The IUPAC name of N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide (CID 143496393) is N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide.
What is the SMILES notation for N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide?
The canonical SMILES for N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide is C/C=C(\C=C/C(F)=C/CC)NC=O.
What is the InChIKey of N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide?
The InChIKey is ONLZNUAINYZCFR-UUBGPHPLSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-5-9(11)6-7-10(4-2)12-8-13/h4-8H,3H2,1-2H3,(H,12,13)/b7-6-,9-5-,10-4+.
What are the key properties of N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide?
N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide has a molecular weight of 183.23 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4Z,6Z)-6-fluoronona-2,4,6-trien-3-yl]formamide is sourced from PubChem (CID 143496393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).