(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine

C14H10ClF4N — CID 105394656

IUPAC(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H10ClF4N/c15-12-5-4-10(16)7-11(12)13(20)8-2-1-3-9(6-8)14(17,18)19/h1-7,13H,20H2
InChIKeyHOCZDLIAVZZGRT-UHFFFAOYSA-N
MW303.69 g/mol
LogP4.55
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine

(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 105394656) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID105394656
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1cccc(C(F)(F)F)c1)c1cc(F)ccc1Cl
InChIInChI=1S/C14H10ClF4N/c15-12-5-4-10(16)7-11(12)13(20)8-2-1-3-9(6-8)14(17,18)19/h1-7,13H,20H2
InChIKeyHOCZDLIAVZZGRT-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 115566981
(3-bromo-2-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 106645279
(2-chloro-5-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105394638
(2-bromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43825139
(2-chloro-5-fluorophenyl)-(4-chlorophenyl)methanamine
CID 105394650
(S)-[3-(trifluoromethyl)phenyl]-[4-(trifluoromethyl)phenyl]methanamine
CID 170898673
(3,5-dichloro-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 79780298
(2-chloro-5-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 105394677
[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105192836
(4-fluoro-3,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 65299620
(3-chlorophenyl)-(2,4-difluorophenyl)methanamine
CID 43197760
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine (CID 105394656) is (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine is NC(c1cccc(C(F)(F)F)c1)c1cc(F)ccc1Cl.
What is the InChIKey of (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is HOCZDLIAVZZGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-12-5-4-10(16)7-11(12)13(20)8-2-1-3-9(6-8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine?
(2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.69 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 105394656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).