1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C13H18F4N2 — CID 107520564

IUPAC1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(N)c1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C13H18F4N2/c1-2-7-19(9-13(15,16)17)8-12(18)10-3-5-11(14)6-4-10/h3-6,12H,2,7-9,18H2,1H3
InChIKeyCGUCLKLDYYAZCV-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.10
Rot. Bonds6

About 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107520564) has the molecular formula C13H18F4N2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107520564
Molecular FormulaC13H18F4N2
Molecular Weight278.29 g/mol
Exact Mass278.14
IUPAC Name1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCCCN(CC(N)c1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C13H18F4N2/c1-2-7-19(9-13(15,16)17)8-12(18)10-3-5-11(14)6-4-10/h3-6,12H,2,7-9,18H2,1H3
InChIKeyCGUCLKLDYYAZCV-UHFFFAOYSA-N
XLogP3.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107520566
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 107520567
1-(4-fluorophenyl)-N'-[(4-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 107519967
1-(4-fluorophenyl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 55138272
N'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131
N,2-dimethyl-1-phenyl-N'-propyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62619451
1-(4-tert-butylphenyl)-N'-(cyclopropylmethyl)-N'-propylethane-1,2-diamine
CID 63467781
N'-benzyl-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 18070991
1-(4-fluorophenyl)pentan-1-amine;hydrochloride
CID 86262916
1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62618647
1-(2-fluorophenyl)-N',N'-dipropylethane-1,2-diamine
CID 16791201

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107520564) is 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is CCCN(CC(N)c1ccc(F)cc1)CC(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is CGUCLKLDYYAZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F4N2/c1-2-7-19(9-13(15,16)17)8-12(18)10-3-5-11(14)6-4-10/h3-6,12H,2,7-9,18H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 278.29 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107520564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).