N-(3-fluoro-2,4-dimethylphenyl)formamide

C9H10FNO — CID 168652075

IUPACN-(3-fluoro-2,4-dimethylphenyl)formamide
SMILESCc1ccc(NC=O)c(C)c1F
InChIInChI=1S/C9H10FNO/c1-6-3-4-8(11-5-12)7(2)9(6)10/h3-5H,1-2H3,(H,11,12)
InChIKeySZSMKMCKTISQJA-UHFFFAOYSA-N
MW167.18 g/mol
LogP2.01
Rot. Bonds2

About N-(3-fluoro-2,4-dimethylphenyl)formamide

N-(3-fluoro-2,4-dimethylphenyl)formamide (PubChem CID 168652075) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is N-(3-fluoro-2,4-dimethylphenyl)formamide.

Molecular Properties

Compound NameN-(3-fluoro-2,4-dimethylphenyl)formamide
PubChem CID168652075
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC NameN-(3-fluoro-2,4-dimethylphenyl)formamide
SMILESCc1ccc(NC=O)c(C)c1F
InChIInChI=1S/C9H10FNO/c1-6-3-4-8(11-5-12)7(2)9(6)10/h3-5H,1-2H3,(H,11,12)
InChIKeySZSMKMCKTISQJA-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-2,4-dimethylphenyl)formamide?
The IUPAC name of N-(3-fluoro-2,4-dimethylphenyl)formamide (CID 168652075) is N-(3-fluoro-2,4-dimethylphenyl)formamide.
What is the SMILES notation for N-(3-fluoro-2,4-dimethylphenyl)formamide?
The canonical SMILES for N-(3-fluoro-2,4-dimethylphenyl)formamide is Cc1ccc(NC=O)c(C)c1F.
What is the InChIKey of N-(3-fluoro-2,4-dimethylphenyl)formamide?
The InChIKey is SZSMKMCKTISQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-3-4-8(11-5-12)7(2)9(6)10/h3-5H,1-2H3,(H,11,12).
What are the key properties of N-(3-fluoro-2,4-dimethylphenyl)formamide?
N-(3-fluoro-2,4-dimethylphenyl)formamide has a molecular weight of 167.18 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-2,4-dimethylphenyl)formamide is sourced from PubChem (CID 168652075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).