N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide

C11H18FNO — CID 142122835

IUPACN-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide
SMILESC/C(F)=C\C/C=C(\C)CC(C)NC=O
InChIInChI=1S/C11H18FNO/c1-9(5-4-6-10(2)12)7-11(3)13-8-14/h5-6,8,11H,4,7H2,1-3H3,(H,13,14)/b9-5+,10-6+
InChIKeyLJZHCXQYOCMVSI-NXZHAISVSA-N
MW199.27 g/mol
LogP2.72
Rot. Bonds6

About N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide

N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide (PubChem CID 142122835) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide.

Molecular Properties

Compound NameN-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide
PubChem CID142122835
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC NameN-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide
SMILESC/C(F)=C\C/C=C(\C)CC(C)NC=O
InChIInChI=1S/C11H18FNO/c1-9(5-4-6-10(2)12)7-11(3)13-8-14/h5-6,8,11H,4,7H2,1-3H3,(H,13,14)/b9-5+,10-6+
InChIKeyLJZHCXQYOCMVSI-NXZHAISVSA-N
XLogP2.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide
CID 57109470
N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
N-[(4R,5E)-2,6-difluorohepta-1,5-dien-4-yl]formamide
CID 89215062
ethane;N-[(4Z,6E)-8,8,8-trifluoro-3-methylideneocta-4,6-dienyl]formamide
CID 144442015
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[(4Z,6R)-6-fluoro-2-methyl-4-(propylaminomethyl)hepta-1,4-dien-3-yl]formamide
CID 167034520
N-[(2E)-3,7-dimethylocta-2,6-dienyl]formamide
CID 58719512
N-(6-methylhept-5-en-2-yl)formamide
CID 3614685
N-[2-methyl-1-prenylpropyl] formamide
CID 132277315
N-[(2R)-6,10-dimethylundeca-5,9-dien-2-yl]acetamide
CID 135075295
N-[(3S,5Z,6E,8E)-5-ethylidene-7,9-difluoro-1-(propylamino)nona-6,8-dien-3-yl]formamide
CID 143293755
N-[(1R)-1-(4-fluorocyclohepta-1,3,5-trien-1-yl)ethyl]formamide
CID 144195291

Frequently Asked Questions

What is the IUPAC name of N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide?
The IUPAC name of N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide (CID 142122835) is N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide.
What is the SMILES notation for N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide?
The canonical SMILES for N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide is C/C(F)=C\C/C=C(\C)CC(C)NC=O.
What is the InChIKey of N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide?
The InChIKey is LJZHCXQYOCMVSI-NXZHAISVSA-N. The full InChI is InChI=1S/C11H18FNO/c1-9(5-4-6-10(2)12)7-11(3)13-8-14/h5-6,8,11H,4,7H2,1-3H3,(H,13,14)/b9-5+,10-6+.
What are the key properties of N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide?
N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide has a molecular weight of 199.27 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E,7E)-8-fluoro-4-methylnona-4,7-dien-2-yl]formamide is sourced from PubChem (CID 142122835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).