4-(2,2-difluoroethoxymethyl)aniline

C9H11F2NO — CID 60921613

IUPAC4-(2,2-difluoroethoxymethyl)aniline
SMILESNc1ccc(COCC(F)F)cc1
InChIInChI=1S/C9H11F2NO/c10-9(11)6-13-5-7-1-3-8(12)4-2-7/h1-4,9H,5-6,12H2
InChIKeyQZVGALBGOHTYRC-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.05
Rot. Bonds4

About 4-(2,2-difluoroethoxymethyl)aniline

4-(2,2-difluoroethoxymethyl)aniline (PubChem CID 60921613) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxymethyl)aniline.

Molecular Properties

Compound Name4-(2,2-difluoroethoxymethyl)aniline
PubChem CID60921613
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-(2,2-difluoroethoxymethyl)aniline
SMILESNc1ccc(COCC(F)F)cc1
InChIInChI=1S/C9H11F2NO/c10-9(11)6-13-5-7-1-3-8(12)4-2-7/h1-4,9H,5-6,12H2
InChIKeyQZVGALBGOHTYRC-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.05
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'}

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Related Compounds

4-(2,2,3,3-tetrafluoropropoxymethyl)aniline
CID 43128658
4-(2-methylbutoxymethyl)aniline
CID 62103627
4-(phenylmethoxymethyl)aniline
CID 11701294
N-[[4-(2,2-difluoroethoxymethyl)phenyl]methyl]cyclopropanamine
CID 82005381
[6-(2,2-difluoroethoxymethyl)-3-pyridinyl]methanamine
CID 82006174
4-(2,2,2-trifluoroethoxymethoxymethyl)aniline
CID 106704374
2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006553
4-[2-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 103146258
N-[(4-aminophenyl)methyl]-3-(2,2-difluoroethoxy)-N-ethylpropanamide
CID 103205538
(2S)-1-[[4-(difluoromethoxy)phenyl]methoxy]propan-2-amine
CID 97058293
2-fluorobutoxymethylbenzene
CID 121368179
4-(3-ethoxypropoxymethyl)aniline
CID 65176442

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxymethyl)aniline?
The IUPAC name of 4-(2,2-difluoroethoxymethyl)aniline (CID 60921613) is 4-(2,2-difluoroethoxymethyl)aniline.
What is the SMILES notation for 4-(2,2-difluoroethoxymethyl)aniline?
The canonical SMILES for 4-(2,2-difluoroethoxymethyl)aniline is Nc1ccc(COCC(F)F)cc1.
What is the InChIKey of 4-(2,2-difluoroethoxymethyl)aniline?
The InChIKey is QZVGALBGOHTYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c10-9(11)6-13-5-7-1-3-8(12)4-2-7/h1-4,9H,5-6,12H2.
What are the key properties of 4-(2,2-difluoroethoxymethyl)aniline?
4-(2,2-difluoroethoxymethyl)aniline has a molecular weight of 187.19 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxymethyl)aniline is sourced from PubChem (CID 60921613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).