4-(2,2,3,3-tetrafluoropropoxymethyl)aniline

C10H11F4NO — CID 43128658

IUPAC4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
SMILESNc1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-5-7-1-3-8(15)4-2-7/h1-4,9H,5-6,15H2
InChIKeyRHEFIEIRHZKITB-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.69
Rot. Bonds5

About 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline

4-(2,2,3,3-tetrafluoropropoxymethyl)aniline (PubChem CID 43128658) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
PubChem CID43128658
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
SMILESNc1ccc(COCC(F)(F)C(F)F)cc1
InChIInChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-5-7-1-3-8(15)4-2-7/h1-4,9H,5-6,15H2
InChIKeyRHEFIEIRHZKITB-UHFFFAOYSA-N
XLogP2.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-Aminobenzyl alcohol
CID 69331
2-(Methoxymethyl)aniline
CID 12334306
1,3-Dihydro-2-benzofuran-5-amine
CID 12445339
p-Toluidine, alpha-(2-(diethylamino)ethoxy)-
CID 211405
4-(Methoxymethyl)aniline
CID 15212002
(4-Amino-2-fluorophenyl)methanol
CID 45116731
4-(Oxolan-2-yl)aniline
CID 82111256
p-Aminobenzyl carbamate
CID 22569099
2-(1-Ethoxy-1,2,2,3,3,4,4,4-octafluorobutyl)aniline
CID 131851352
(4-Amino-3-fluorophenyl)methanol
CID 2737678
3-(Methoxymethyl)aniline
CID 13042032
3-((2,2,2-Trifluoroethoxy)methyl)aniline
CID 15084981

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline (CID 43128658) is 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline is Nc1ccc(COCC(F)(F)C(F)F)cc1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline?
The InChIKey is RHEFIEIRHZKITB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c11-9(12)10(13,14)6-16-5-7-1-3-8(15)4-2-7/h1-4,9H,5-6,15H2.
What are the key properties of 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline?
4-(2,2,3,3-tetrafluoropropoxymethyl)aniline has a molecular weight of 237.20 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropoxymethyl)aniline is sourced from PubChem (CID 43128658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).