(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine

C14H10F5NO — CID 63672561

IUPAC(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cc(F)ccc1F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H10F5NO/c15-8-5-6-11(16)10(7-8)13(20)9-3-1-2-4-12(9)21-14(17,18)19/h1-7,13H,20H2
InChIKeyWAWDZWLXQROWJB-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.91
Rot. Bonds3

About (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine

(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 63672561) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID63672561
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cc(F)ccc1F)c1ccccc1OC(F)(F)F
InChIInChI=1S/C14H10F5NO/c15-8-5-6-11(16)10(7-8)13(20)9-3-1-2-4-12(9)21-14(17,18)19/h1-7,13H,20H2
InChIKeyWAWDZWLXQROWJB-UHFFFAOYSA-N
XLogP3.91
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 63672562
(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 62790847
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850885
(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 106691908
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
(5-bromothiophen-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141567
(2,4-difluorophenyl)-(2-ethoxyphenyl)methanamine
CID 43197762
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790502
4-fluoro-3-[2-(trifluoromethoxy)phenyl]aniline
CID 112694311

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine (CID 63672561) is (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine is NC(c1cc(F)ccc1F)c1ccccc1OC(F)(F)F.
What is the InChIKey of (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is WAWDZWLXQROWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-8-5-6-11(16)10(7-8)13(20)9-3-1-2-4-12(9)21-14(17,18)19/h1-7,13H,20H2.
What are the key properties of (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine?
(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 303.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 63672561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).