N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride

C9H8ClF6N — CID 86655661

IUPACN-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride
SMILESCNc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C9H7F6N.ClH/c1-16-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15;/h2-4,16H,1H3;1H
InChIKeyYRNPXRVRHZCUDY-UHFFFAOYSA-N
MW279.61 g/mol
LogP4.19
Rot. Bonds1

About N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride

N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride (PubChem CID 86655661) has the molecular formula C9H8ClF6N and a molecular weight of 279.61 g/mol. Its IUPAC name is N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride.

Molecular Properties

Compound NameN-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride
PubChem CID86655661
Molecular FormulaC9H8ClF6N
Molecular Weight279.61 g/mol
Exact Mass279.02
IUPAC NameN-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride
SMILESCNc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
InChIInChI=1S/C9H7F6N.ClH/c1-16-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15;/h2-4,16H,1H3;1H
InChIKeyYRNPXRVRHZCUDY-UHFFFAOYSA-N
XLogP4.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.61
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride?
The IUPAC name of N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride (CID 86655661) is N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride.
What is the SMILES notation for N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride?
The canonical SMILES for N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride is CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride?
The InChIKey is YRNPXRVRHZCUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N.ClH/c1-16-7-3-5(8(10,11)12)2-6(4-7)9(13,14)15;/h2-4,16H,1H3;1H.
What are the key properties of N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride?
N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride has a molecular weight of 279.61 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3,5-bis(trifluoromethyl)aniline;hydrochloride is sourced from PubChem (CID 86655661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).