2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

C11H21ClF3NO — CID 106117233

IUPAC2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(CCCl)CNCCOCC(F)(F)F
InChIInChI=1S/C11H21ClF3NO/c1-2-3-10(4-5-12)8-16-6-7-17-9-11(13,14)15/h10,16H,2-9H2,1H3
InChIKeyATSBURRNLKTGJO-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.20
Rot. Bonds10

About 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 106117233) has the molecular formula C11H21ClF3NO and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID106117233
Molecular FormulaC11H21ClF3NO
Molecular Weight275.74 g/mol
Exact Mass275.13
IUPAC Name2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(CCCl)CNCCOCC(F)(F)F
InChIInChI=1S/C11H21ClF3NO/c1-2-3-10(4-5-12)8-16-6-7-17-9-11(13,14)15/h10,16H,2-9H2,1H3
InChIKeyATSBURRNLKTGJO-UHFFFAOYSA-N
XLogP3.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-N-(3-ethoxypropyl)pentan-1-amine
CID 106117140
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
2-N-cyclopropyl-2-N-methyl-1-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 114133320
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215
2-propyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 82983950
4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106121614
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
2-(2-chloroethyl)-N-(2-methylpentyl)pentan-1-amine
CID 106117203
2-(2-chloroethyl)-N-(cyclopropylmethyl)pentan-1-amine
CID 106117073
N,2-dipropylpentan-1-amine
CID 62530512
1-chloro-2-(chloromethyl)-5-(2,2,2-trifluoroethoxy)pentane
CID 79447837

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 106117233) is 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is CCCC(CCCl)CNCCOCC(F)(F)F.
What is the InChIKey of 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is ATSBURRNLKTGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21ClF3NO/c1-2-3-10(4-5-12)8-16-6-7-17-9-11(13,14)15/h10,16H,2-9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 275.74 g/mol, XLogP of 3.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 106117233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).