N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide

C9H12FNO — CID 171558050

IUPACN-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
SMILESCC1=C(F)C(CNC=O)=CCC1
InChIInChI=1S/C9H12FNO/c1-7-3-2-4-8(9(7)10)5-11-6-12/h4,6H,2-3,5H2,1H3,(H,11,12)
InChIKeyAVPIUTHXROWPDC-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.70
Rot. Bonds3

About N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide

N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide (PubChem CID 171558050) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
PubChem CID171558050
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
SMILESCC1=C(F)C(CNC=O)=CCC1
InChIInChI=1S/C9H12FNO/c1-7-3-2-4-8(9(7)10)5-11-6-12/h4,6H,2-3,5H2,1H3,(H,11,12)
InChIKeyAVPIUTHXROWPDC-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide
CID 89215020
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 117997713
N-(2-ethylidene-5-fluorohexa-3,5-dienyl)formamide
CID 123556775
N-[(4-fluorocyclohepta-1,3,5-trien-1-yl)methyl]formamide
CID 126690292
(6-Fluorocyclohexa-1,5-dien-1-yl)methylurea
CID 144293774
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 156168339
N-[(2E,3Z)-2-butylidene-5-(trifluoromethyl)hexa-3,5-dienyl]formamide
CID 170060818
N-[(2E,4Z)-3-(trifluoromethyl)hexa-2,4-dienyl]formamide
CID 142104797

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide?
The IUPAC name of N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide (CID 171558050) is N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide.
What is the SMILES notation for N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide?
The canonical SMILES for N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide is CC1=C(F)C(CNC=O)=CCC1.
What is the InChIKey of N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide?
The InChIKey is AVPIUTHXROWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-7-3-2-4-8(9(7)10)5-11-6-12/h4,6H,2-3,5H2,1H3,(H,11,12).
What are the key properties of N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide?
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide has a molecular weight of 169.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide is sourced from PubChem (CID 171558050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).