N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide

C11H11F4NO2 — CID 168652150

IUPACN-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide
SMILESCc1cc(OCC(F)(F)C(F)F)ccc1NC=O
InChIInChI=1S/C11H11F4NO2/c1-7-4-8(2-3-9(7)16-6-17)18-5-11(14,15)10(12)13/h2-4,6,10H,5H2,1H3,(H,16,17)
InChIKeyVUJHZKBUSDXVEX-UHFFFAOYSA-N
MW265.21 g/mol
LogP2.84
Rot. Bonds6

About N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide

N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide (PubChem CID 168652150) has the molecular formula C11H11F4NO2 and a molecular weight of 265.21 g/mol. Its IUPAC name is N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide
PubChem CID168652150
Molecular FormulaC11H11F4NO2
Molecular Weight265.21 g/mol
Exact Mass265.07
IUPAC NameN-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide
SMILESCc1cc(OCC(F)(F)C(F)F)ccc1NC=O
InChIInChI=1S/C11H11F4NO2/c1-7-4-8(2-3-9(7)16-6-17)18-5-11(14,15)10(12)13/h2-4,6,10H,5H2,1H3,(H,16,17)
InChIKeyVUJHZKBUSDXVEX-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5-[[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)anilino]methylidene]-1,3-dioxane-4,6-dione
CID 168540067
3-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)anilino]propane-1,2-diol
CID 168594810
6-(2,2,3,3-tetrafluoropropoxy)naphthalene-2-carbaldehyde
CID 10779540
4-(2,2,3,3-tetrafluoropropoxy)benzene-1,2-dicarbonitrile
CID 4197247
N-(4-fluoro-2-methylphenyl)formamide
CID 64992173
N-(4-formyl-2-methylphenyl)formamide
CID 144615218
N-[3-(2,2,2-trifluoroethoxy)phenyl]formamide
CID 168653348
3-[2-methyl-4-(2,2,2-trifluoroethoxy)anilino]propane-1,2-diol
CID 168595342
(1R)-1-[2-bromo-4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethanamine
CID 114069400
N-[4-(aminomethyl)-2-methylphenyl]formamide
CID 82502855
5-(2,2,3,3-tetrafluoropropoxy)pyridine-2-carbonyl chloride
CID 121268116
N-[2-methyl-5-(2,2,2-trifluoroethoxy)-1-benzofuran-3-yl]formamide
CID 176657215

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide?
The IUPAC name of N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide (CID 168652150) is N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide.
What is the SMILES notation for N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide?
The canonical SMILES for N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide is Cc1cc(OCC(F)(F)C(F)F)ccc1NC=O.
What is the InChIKey of N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide?
The InChIKey is VUJHZKBUSDXVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO2/c1-7-4-8(2-3-9(7)16-6-17)18-5-11(14,15)10(12)13/h2-4,6,10H,5H2,1H3,(H,16,17).
What are the key properties of N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide?
N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide has a molecular weight of 265.21 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2,2,3,3-tetrafluoropropoxy)phenyl]formamide is sourced from PubChem (CID 168652150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).