4-(difluoromethoxy)-2-fluoro-N-methylaniline

C8H8F3NO — CID 131040110

IUPAC4-(difluoromethoxy)-2-fluoro-N-methylaniline
SMILESCNc1ccc(OC(F)F)cc1F
InChIInChI=1S/C8H8F3NO/c1-12-7-3-2-5(4-6(7)9)13-8(10)11/h2-4,8,12H,1H3
InChIKeyLCMGPIZBMFSXPQ-UHFFFAOYSA-N
MW191.15 g/mol
LogP2.47
Rot. Bonds3

About 4-(difluoromethoxy)-2-fluoro-N-methylaniline

4-(difluoromethoxy)-2-fluoro-N-methylaniline (PubChem CID 131040110) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-fluoro-N-methylaniline
PubChem CID131040110
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name4-(difluoromethoxy)-2-fluoro-N-methylaniline
SMILESCNc1ccc(OC(F)F)cc1F
InChIInChI=1S/C8H8F3NO/c1-12-7-3-2-5(4-6(7)9)13-8(10)11/h2-4,8,12H,1H3
InChIKeyLCMGPIZBMFSXPQ-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298
2-fluoro-N-methyl-4-(1H-pyrazol-5-yloxy)aniline
CID 164869783
methyl 5-(difluoromethoxy)-2-hydrazinylbenzoate
CID 134649425
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092933
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
2,4-bis(difluoromethoxy)-N-[(2-fluorophenyl)methyl]aniline
CID 86947132
4-[1-[4-(difluoromethoxy)phenyl]ethylamino]-3-fluorobenzonitrile
CID 133350712
N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline
CID 56636646

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-methylaniline?
The IUPAC name of 4-(difluoromethoxy)-2-fluoro-N-methylaniline (CID 131040110) is 4-(difluoromethoxy)-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-(difluoromethoxy)-2-fluoro-N-methylaniline?
The canonical SMILES for 4-(difluoromethoxy)-2-fluoro-N-methylaniline is CNc1ccc(OC(F)F)cc1F.
What is the InChIKey of 4-(difluoromethoxy)-2-fluoro-N-methylaniline?
The InChIKey is LCMGPIZBMFSXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c1-12-7-3-2-5(4-6(7)9)13-8(10)11/h2-4,8,12H,1H3.
What are the key properties of 4-(difluoromethoxy)-2-fluoro-N-methylaniline?
4-(difluoromethoxy)-2-fluoro-N-methylaniline has a molecular weight of 191.15 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-fluoro-N-methylaniline is sourced from PubChem (CID 131040110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).