2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline

C13H8ClF4NO — CID 26189386

IUPAC2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClF4NO/c14-9-6-8(2-3-10(9)15)20-12-4-1-7(5-11(12)19)13(16,17)18/h1-6H,19H2
InChIKeyBXCMXXDAPNMQMW-UHFFFAOYSA-N
MW305.66 g/mol
LogP4.87
Rot. Bonds2

About 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline

2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline (PubChem CID 26189386) has the molecular formula C13H8ClF4NO and a molecular weight of 305.66 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
PubChem CID26189386
Molecular FormulaC13H8ClF4NO
Molecular Weight305.66 g/mol
Exact Mass305.02
IUPAC Name2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline
SMILESNc1cc(C(F)(F)F)ccc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8ClF4NO/c14-9-6-8(2-3-10(9)15)20-12-4-1-7(5-11(12)19)13(16,17)18/h1-6H,19H2
InChIKeyBXCMXXDAPNMQMW-UHFFFAOYSA-N
XLogP4.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenoxy)-5-(trifluoromethyl)aniline
CID 4189535
2-(4-amino-2-fluorophenoxy)-5-(trifluoromethyl)aniline
CID 66487930
4-(3-chloro-4-fluorophenoxy)pyridin-3-amine
CID 63878452
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]boronic acid
CID 167728223
[4-[2-amino-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 61229517
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
2-(3-chloro-4-fluorophenoxy)-4-(difluoromethoxy)-5-fluoroaniline
CID 63879848
4-[2-amino-4-(trifluoromethyl)phenoxy]-2-methylbenzonitrile
CID 82000455
2-(4-chlorophenoxy)-5-fluoroaniline
CID 26189667
2-[(6-chloro-1H-azepin-3-yl)oxy]-5-(trifluoromethyl)aniline
CID 89187865
2-(3-chloro-4-fluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63878623
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline (CID 26189386) is 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline is Nc1cc(C(F)(F)F)ccc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline?
The InChIKey is BXCMXXDAPNMQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF4NO/c14-9-6-8(2-3-10(9)15)20-12-4-1-7(5-11(12)19)13(16,17)18/h1-6H,19H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline?
2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline has a molecular weight of 305.66 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-5-(trifluoromethyl)aniline is sourced from PubChem (CID 26189386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).