N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine

C11H10F3N — CID 146003781

IUPACN,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine
SMILESCN(C)CC#Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3N/c1-15(2)5-3-4-8-6-9(12)11(14)10(13)7-8/h6-7H,5H2,1-2H3
InChIKeyDXMKCWFYGKPXBE-UHFFFAOYSA-N
MW213.20 g/mol
LogP2.02
Rot. Bonds1

About N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine

N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine (PubChem CID 146003781) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine
PubChem CID146003781
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC NameN,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine
SMILESCN(C)CC#Cc1cc(F)c(F)c(F)c1
InChIInChI=1S/C11H10F3N/c1-15(2)5-3-4-8-6-9(12)11(14)10(13)7-8/h6-7H,5H2,1-2H3
InChIKeyDXMKCWFYGKPXBE-UHFFFAOYSA-N
XLogP2.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(4-chloro-3-fluorophenyl)-N,N-dimethylprop-2-yn-1-amine
CID 130055918
N,N-dimethyl-3-(4-methylsulfanylphenyl)prop-2-yn-1-amine
CID 130055827
5-(5-chloropent-1-ynyl)-1,2,3-trifluorobenzene
CID 130055839
5-[3-(dimethylamino)prop-1-ynyl]pyridin-3-amine
CID 58476592
2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
CID 169484963
3-[7-[3-(dimethylamino)prop-1-ynyl]-5,5-dioxodibenzothiophen-3-yl]-N,N-dimethylprop-2-yn-1-amine
CID 11559908
tert-butyl 6-[4-[3-(dimethylamino)prop-1-ynyl]-2-fluorophenoxy]hexanoate
CID 91336296
5-chloro-6-[4-[3-(dimethylamino)prop-1-ynyl]-2,6-difluorophenyl]-N-(3-methylbutan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 175363434
5-(4-chlorobut-1-ynyl)-2,3-difluorophenol
CID 170467694
3-(4-chloro-3-fluorophenyl)-N,N-dipropylprop-2-yn-1-amine
CID 146002877
2-ethyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]phenanthrene
CID 139883471
3-[3-(3-fluorophenyl)quinolin-7-yl]-N,N-dimethylprop-2-yn-1-amine
CID 19063760

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine?
The IUPAC name of N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine (CID 146003781) is N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine is CN(C)CC#Cc1cc(F)c(F)c(F)c1.
What is the InChIKey of N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine?
The InChIKey is DXMKCWFYGKPXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N/c1-15(2)5-3-4-8-6-9(12)11(14)10(13)7-8/h6-7H,5H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine?
N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine has a molecular weight of 213.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3,4,5-trifluorophenyl)prop-2-yn-1-amine is sourced from PubChem (CID 146003781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).