3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride

C10H8Cl2F3N — CID 75365724

IUPAC3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride
SMILESCl.NCC#Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H7ClF3N.ClH/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15;/h3-4,6H,5,15H2;1H
InChIKeyFBIGRGOZNMXITO-UHFFFAOYSA-N
MW270.08 g/mol
LogP3.09
Rot. Bonds

About 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride

3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride (PubChem CID 75365724) has the molecular formula C10H8Cl2F3N and a molecular weight of 270.08 g/mol. Its IUPAC name is 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride
PubChem CID75365724
Molecular FormulaC10H8Cl2F3N
Molecular Weight270.08 g/mol
Exact Mass269.00
IUPAC Name3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride
SMILESCl.NCC#Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C10H7ClF3N.ClH/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15;/h3-4,6H,5,15H2;1H
InChIKeyFBIGRGOZNMXITO-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine
CID 75365725
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 59407755
1-fluoro-2-(4-fluorobut-1-ynyl)-4-(trifluoromethyl)benzene
CID 145268002
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-en-1-amine
CID 169463994
5-[2-methyl-4-(trifluoromethyl)phenyl]pent-4-yn-1-amine
CID 106220221
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-fluoropropan-1-amine;hydrochloride
CID 171229194
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]butane-1,4-diamine;hydrochloride
CID 171209572
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
CID 71212803
CID 71212803
[2-chloro-5-(trifluoromethyl)phenyl]hydrazine
CID 2060249
4-[2-amino-4-(trifluoromethyl)phenyl]but-3-yn-1-ol
CID 163219137

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride?
The IUPAC name of 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride (CID 75365724) is 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride.
What is the SMILES notation for 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride?
The canonical SMILES for 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride is Cl.NCC#Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride?
The InChIKey is FBIGRGOZNMXITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF3N.ClH/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15;/h3-4,6H,5,15H2;1H.
What are the key properties of 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride?
3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride has a molecular weight of 270.08 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-yn-1-amine;hydrochloride is sourced from PubChem (CID 75365724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).