N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline

C14H12F3NO — CID 56636646

IUPACN-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C14H12F3NO/c1-9-2-7-12(15)13(8-9)18-10-3-5-11(6-4-10)19-14(16)17/h2-8,14,18H,1H3
InChIKeyOFQWBWMBLCRPQB-UHFFFAOYSA-N
MW267.25 g/mol
LogP4.48
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline

N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline (PubChem CID 56636646) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline
PubChem CID56636646
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(Nc2ccc(OC(F)F)cc2)c1
InChIInChI=1S/C14H12F3NO/c1-9-2-7-12(15)13(8-9)18-10-3-5-11(6-4-10)19-14(16)17/h2-8,14,18H,1H3
InChIKeyOFQWBWMBLCRPQB-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-(4-fluorophenyl)-5-methylaniline
CID 56637557
3-N-[4-(difluoromethoxy)phenyl]-4-methylbenzene-1,3-diamine
CID 62589407
1-[4-(difluoromethoxy)phenyl]-1-(2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 115852792
4-N-(2-fluoro-5-methylphenyl)-2-methoxybenzene-1,4-diamine
CID 55233142
4-[4-(difluoromethoxy)anilino]-2,3-difluorobenzonitrile
CID 107933329
2-amino-5-(2-fluoro-5-methylanilino)benzamide
CID 61307828
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-2,5-difluoroaniline
CID 43104475
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-fluoro-4-methylaniline
CID 43100863
5-methyl-2-(4-propan-2-yloxyanilino)benzonitrile
CID 107926997
4-(difluoromethoxy)-2-fluoro-N-methylaniline
CID 131040110
2-chloro-N-(2-fluoro-5-methylphenyl)pyridin-4-amine
CID 102823905
4-fluoro-1-N-(2-fluoro-5-methylphenyl)-5-methylbenzene-1,2-diamine
CID 103589902

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline (CID 56636646) is N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline is Cc1ccc(F)c(Nc2ccc(OC(F)F)cc2)c1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline?
The InChIKey is OFQWBWMBLCRPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-9-2-7-12(15)13(8-9)18-10-3-5-11(6-4-10)19-14(16)17/h2-8,14,18H,1H3.
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline?
N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline has a molecular weight of 267.25 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-fluoro-5-methylaniline is sourced from PubChem (CID 56636646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).