1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine

C13H16Cl2F3N — CID 105024119

IUPAC1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2F3N/c1-2-19-12(4-3-5-13(16,17)18)9-6-10(14)8-11(15)7-9/h6-8,12,19H,2-5H2,1H3
InChIKeyCTUSWHKIHYMPRD-UHFFFAOYSA-N
MW314.18 g/mol
LogP5.38
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine

1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine (PubChem CID 105024119) has the molecular formula C13H16Cl2F3N and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
PubChem CID105024119
Molecular FormulaC13H16Cl2F3N
Molecular Weight314.18 g/mol
Exact Mass313.06
IUPAC Name1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H16Cl2F3N/c1-2-19-12(4-3-5-13(16,17)18)9-6-10(14)8-11(15)7-9/h6-8,12,19H,2-5H2,1H3
InChIKeyCTUSWHKIHYMPRD-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.18
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 115516524
1-(4-chloro-2,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023875
1-(3,5-dichlorophenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039546
1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105024334
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024184
1-(4-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105023825
1-(3,5-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 115782535
4-(3-chlorophenyl)-4-(ethylamino)butan-1-ol
CID 69402715
1-(3-bromo-2-chlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024138
2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61044931
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine (CID 105024119) is 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine is CCNC(CCCC(F)(F)F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
The InChIKey is CTUSWHKIHYMPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2F3N/c1-2-19-12(4-3-5-13(16,17)18)9-6-10(14)8-11(15)7-9/h6-8,12,19H,2-5H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine?
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine has a molecular weight of 314.18 g/mol, XLogP of 5.38, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 105024119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).