4-(difluoromethoxy)aniline

C7H7F2NO — CID 737363

IUPAC4-(difluoromethoxy)aniline
SMILESNc1ccc(OC(F)F)cc1
InChIInChI=1S/C7H7F2NO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2
InChIKeyNDEZTSHWEPQVBX-UHFFFAOYSA-N
MW159.14 g/mol
LogP1.87
Rot. Bonds2

About 4-(difluoromethoxy)aniline

4-(difluoromethoxy)aniline (PubChem CID 737363) has the molecular formula C7H7F2NO and a molecular weight of 159.14 g/mol. Its IUPAC name is 4-(difluoromethoxy)aniline.

Molecular Properties

Compound Name4-(difluoromethoxy)aniline
PubChem CID737363
Molecular FormulaC7H7F2NO
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name4-(difluoromethoxy)aniline
SMILESNc1ccc(OC(F)F)cc1
InChIInChI=1S/C7H7F2NO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2
InChIKeyNDEZTSHWEPQVBX-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 51.87
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-[4-(difluoromethoxy)phenoxy]aniline
CID 71414941
4-[3-[4-(difluoromethoxy)phenyl]but-1-ynyl]aniline
CID 141463809
4-(1,2,2,3,3,3-hexafluoropropoxy)aniline
CID 174979795
4-[(4-aminophenoxy)-(4-aminophenyl)methyl]aniline
CID 57089892
(R)-amino-[4-(difluoromethoxy)phenyl]methanol
CID 131969253
3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine
CID 62589407
4-[(2R)-1,1,1-trifluoropropan-2-yl]oxyaniline
CID 66580012
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
1-(difluoromethoxy)-4-(fluoromethoxy)benzene
CID 137408791
N-[2-(4-aminophenyl)ethyl]-3-[4-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119549007
3-[4-(difluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 62537383
4-(difluoromethoxy)benzenediazonium tetrafluoroborate
CID 82973350

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)aniline?
The IUPAC name of 4-(difluoromethoxy)aniline (CID 737363) is 4-(difluoromethoxy)aniline.
What is the SMILES notation for 4-(difluoromethoxy)aniline?
The canonical SMILES for 4-(difluoromethoxy)aniline is Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)aniline?
The InChIKey is NDEZTSHWEPQVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c8-7(9)11-6-3-1-5(10)2-4-6/h1-4,7H,10H2.
What are the key properties of 4-(difluoromethoxy)aniline?
4-(difluoromethoxy)aniline has a molecular weight of 159.14 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)aniline is sourced from PubChem (CID 737363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).