1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine

C11H12Cl2F3N — CID 55115861

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2F3N/c1-2-17-9(6-11(14,15)16)7-4-3-5-8(12)10(7)13/h3-5,9,17H,2,6H2,1H3
InChIKeyHXMVHLDMMWTCEP-UHFFFAOYSA-N
MW286.12 g/mol
LogP4.60
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine

1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine (PubChem CID 55115861) has the molecular formula C11H12Cl2F3N and a molecular weight of 286.12 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
PubChem CID55115861
Molecular FormulaC11H12Cl2F3N
Molecular Weight286.12 g/mol
Exact Mass285.03
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
SMILESCCNC(CC(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2F3N/c1-2-17-9(6-11(14,15)16)7-4-3-5-8(12)10(7)13/h3-5,9,17H,2,6H2,1H3
InChIKeyHXMVHLDMMWTCEP-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-N-ethylbutan-1-amine
CID 62790364
1,2-bis(2,3-dichlorophenyl)-N-ethylethanamine
CID 107311750
1-(2,3-dichlorophenyl)-N-ethyl-3-methylbutan-1-amine
CID 63413278
1-(2,3-dichlorophenyl)-N-ethyl-4,4-dimethylpentan-1-amine
CID 115850050
2-(2-chlorophenyl)-1-(2,3-dichlorophenyl)-N-ethylethanamine
CID 63415143
N-[bis(2,3-dichlorophenyl)methyl]ethanamine
CID 115851351
1-(2,3-dichlorophenyl)-N-ethylheptan-1-amine
CID 115833577
1-(2,3-dichlorophenyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 63417255
1-(2,3-dichlorophenyl)-N-ethyl-2-(2-methylphenyl)ethanamine
CID 63416853
1-(3-chloro-2-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 64712462
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine (CID 55115861) is 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine is CCNC(CC(F)(F)F)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
The InChIKey is HXMVHLDMMWTCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3N/c1-2-17-9(6-11(14,15)16)7-4-3-5-8(12)10(7)13/h3-5,9,17H,2,6H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine?
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine has a molecular weight of 286.12 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 55115861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).