N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide

C8H9F2NO — CID 144877254

IUPACN-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide
SMILESO=CNCC1=C(F)CC(F)C=C1
InChIInChI=1S/C8H9F2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-2,5,7H,3-4H2,(H,11,12)
InChIKeyUDDDQYGARAJWPU-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.25
Rot. Bonds3

About N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide

N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide (PubChem CID 144877254) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide.

Molecular Properties

Compound NameN-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide
PubChem CID144877254
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameN-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide
SMILESO=CNCC1=C(F)CC(F)C=C1
InChIInChI=1S/C8H9F2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-2,5,7H,3-4H2,(H,11,12)
InChIKeyUDDDQYGARAJWPU-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.25
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-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
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
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-[(2E,5Z)-6-(cyanomethyl)-2-fluoroocta-2,5,7-trienyl]formamide
CID 146255078
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-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
CID 171558050

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide?
The IUPAC name of N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide (CID 144877254) is N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide.
What is the SMILES notation for N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide?
The canonical SMILES for N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide is O=CNCC1=C(F)CC(F)C=C1.
What is the InChIKey of N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide?
The InChIKey is UDDDQYGARAJWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-7-2-1-6(4-11-5-12)8(10)3-7/h1-2,5,7H,3-4H2,(H,11,12).
What are the key properties of N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide?
N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide has a molecular weight of 173.16 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorocyclohexa-1,5-dien-1-yl)methyl]formamide is sourced from PubChem (CID 144877254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).