ethane;1-fluoro-2,4-dimethylbenzene;formamide

C11H18FNO — CID 143812517

IUPACethane;1-fluoro-2,4-dimethylbenzene;formamide
SMILESCC.Cc1ccc(F)c(C)c1.NC=O
InChIInChI=1S/C8H9F.C2H6.CH3NO/c1-6-3-4-8(9)7(2)5-6;1-2;2-1-3/h3-5H,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyBAHYHNGHECLQEV-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.57
Rot. Bonds

About ethane;1-fluoro-2,4-dimethylbenzene;formamide

ethane;1-fluoro-2,4-dimethylbenzene;formamide (PubChem CID 143812517) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is ethane;1-fluoro-2,4-dimethylbenzene;formamide.

Molecular Properties

Compound Nameethane;1-fluoro-2,4-dimethylbenzene;formamide
PubChem CID143812517
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Nameethane;1-fluoro-2,4-dimethylbenzene;formamide
SMILESCC.Cc1ccc(F)c(C)c1.NC=O
InChIInChI=1S/C8H9F.C2H6.CH3NO/c1-6-3-4-8(9)7(2)5-6;1-2;2-1-3/h3-5H,1-2H3;1-2H3;1H,(H2,2,3)
InChIKeyBAHYHNGHECLQEV-UHFFFAOYSA-N
XLogP2.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.57
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

ethane;1-fluoro-2,4-dimethylbenzene
CID 123541236
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
1,4-difluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 143291737
1,2-difluoro-4-methylbenzene;ethane;1,2,4-trimethylbenzene
CID 143200247
ethane;4-fluoro-3-methylaniline
CID 142250330
1,2-difluoro-4-methylbenzene;methanamine
CID 142872799
ethane;1-fluoro-2,4-dimethylbenzene;2-methylhexane
CID 142361482
(2,4-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 62801842
2-(4-fluoro-3-methylphenyl)-2-methylpropanal
CID 83683621
2-(2,4-dimethylphenyl)-4,5-difluorobenzaldehyde
CID 172909442
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
ethane;fluoromethane;1,2,4-trimethylbenzene
CID 143343895

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-2,4-dimethylbenzene;formamide?
The IUPAC name of ethane;1-fluoro-2,4-dimethylbenzene;formamide (CID 143812517) is ethane;1-fluoro-2,4-dimethylbenzene;formamide.
What is the SMILES notation for ethane;1-fluoro-2,4-dimethylbenzene;formamide?
The canonical SMILES for ethane;1-fluoro-2,4-dimethylbenzene;formamide is CC.Cc1ccc(F)c(C)c1.NC=O.
What is the InChIKey of ethane;1-fluoro-2,4-dimethylbenzene;formamide?
The InChIKey is BAHYHNGHECLQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C2H6.CH3NO/c1-6-3-4-8(9)7(2)5-6;1-2;2-1-3/h3-5H,1-2H3;1-2H3;1H,(H2,2,3).
What are the key properties of ethane;1-fluoro-2,4-dimethylbenzene;formamide?
ethane;1-fluoro-2,4-dimethylbenzene;formamide has a molecular weight of 199.27 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-2,4-dimethylbenzene;formamide is sourced from PubChem (CID 143812517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).