(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine

C14H10F5NO — CID 63672562

IUPAC(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H10F5NO/c15-9-4-5-12(16)11(7-9)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13H,20H2
InChIKeyHZKFIFXQCQITCP-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.91
Rot. Bonds3

About (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine

(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine (PubChem CID 63672562) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
PubChem CID63672562
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name(2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1cccc(OC(F)(F)F)c1)c1cc(F)ccc1F
InChIInChI=1S/C14H10F5NO/c15-9-4-5-12(16)11(7-9)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13H,20H2
InChIKeyHZKFIFXQCQITCP-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]methanol
CID 63661812
(3-bromo-4-fluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 82790039
(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 63672561
(2-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916544
(2,5-dibromothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107968244
3-[amino-(2,5-difluorophenyl)methyl]benzoic acid
CID 116938710
(2-methylfuran-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 104789761
(2-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 115854113
(5-fluoro-2-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanol
CID 62917904
[3-(aminomethyl)phenyl]-(2,5-difluorophenyl)methanamine
CID 116936966
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
thiophen-2-yl-[3-(trifluoromethoxy)phenyl]methanamine
CID 55132689

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine (CID 63672562) is (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine is NC(c1cccc(OC(F)(F)F)c1)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is HZKFIFXQCQITCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-9-4-5-12(16)11(7-9)13(20)8-2-1-3-10(6-8)21-14(17,18)19/h1-7,13H,20H2.
What are the key properties of (2,5-difluorophenyl)-[3-(trifluoromethoxy)phenyl]methanamine?
(2,5-difluorophenyl)-[3-(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)-[3-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 63672562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).