N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine

C11H11F6N — CID 43495790

IUPACN-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C11H11F6N/c1-2-3-18-10(11(15,16)17)9-7(13)4-6(12)5-8(9)14/h4-5,10,18H,2-3H2,1H3
InChIKeyCYHBNTRIKBBNLR-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.71
Rot. Bonds4

About N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine

N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine (PubChem CID 43495790) has the molecular formula C11H11F6N and a molecular weight of 271.20 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
PubChem CID43495790
Molecular FormulaC11H11F6N
Molecular Weight271.20 g/mol
Exact Mass271.08
IUPAC NameN-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C11H11F6N/c1-2-3-18-10(11(15,16)17)9-7(13)4-6(12)5-8(9)14/h4-5,10,18H,2-3H2,1H3
InChIKeyCYHBNTRIKBBNLR-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-N-propyl-1-(2,4,6-trifluorophenyl)butan-1-amine
CID 43495812
1-(3-fluoro-5-methylphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 79703432
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 66205176
1-(4-bromo-2,5-difluorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660900
N-propyl-1-(2,4,6-trifluorophenyl)pent-3-yn-1-amine
CID 115819841
1-(3,5-difluorophenyl)-2,2-dimethyl-N-propylbutan-1-amine
CID 115851763
N-[1-(3-bromo-5-methylthiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 65278628
N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine
CID 115528827
N-[2,2,2-trifluoro-1-(2,4,5-trimethoxyphenyl)ethyl]propan-1-amine
CID 66204572
N-[(2-methylcyclopentyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 107177517
N-[(3-fluoro-4-pyridinyl)-(2,4,6-trifluorophenyl)methyl]propan-1-amine
CID 105038327
N-[bis(2,4-difluorophenyl)methyl]propan-1-amine
CID 43496293

Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine (CID 43495790) is N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine is CCCNC(c1c(F)cc(F)cc1F)C(F)(F)F.
What is the InChIKey of N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine?
The InChIKey is CYHBNTRIKBBNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N/c1-2-3-18-10(11(15,16)17)9-7(13)4-6(12)5-8(9)14/h4-5,10,18H,2-3H2,1H3.
What are the key properties of N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine?
N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine has a molecular weight of 271.20 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 43495790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).