N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine

C9H17ClF3NO — CID 107488954

IUPACN-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN(CCCl)CC(F)(F)F
InChIInChI=1S/C9H17ClF3NO/c1-8(2)15-6-5-14(4-3-10)7-9(11,12)13/h8H,3-7H2,1-2H3
InChIKeyPQNMVBHPWDZNKA-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.51
Rot. Bonds7

About N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine

N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine (PubChem CID 107488954) has the molecular formula C9H17ClF3NO and a molecular weight of 247.69 g/mol. Its IUPAC name is N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
PubChem CID107488954
Molecular FormulaC9H17ClF3NO
Molecular Weight247.69 g/mol
Exact Mass247.10
IUPAC NameN-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
SMILESCC(C)OCCN(CCCl)CC(F)(F)F
InChIInChI=1S/C9H17ClF3NO/c1-8(2)15-6-5-14(4-3-10)7-9(11,12)13/h8H,3-7H2,1-2H3
InChIKeyPQNMVBHPWDZNKA-UHFFFAOYSA-N
XLogP2.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-methyl-N-(2-propan-2-yloxyethyl)ethanamine
CID 166728027
N-(2-chloroethyl)-2,2,2-trifluoro-N-[2-(3-methoxypropoxy)ethyl]ethanamine
CID 107489026
N'-(2-chloroethyl)-N,N-dimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 107488929
N-(2-chloroethyl)-N-(2-ethylsulfonylethyl)-2,2,2-trifluoroethanamine
CID 107488814
(E)-N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107897841
N-(2-chloroethyl)-3-phenoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 107489214
2-[bis(2-propan-2-yloxyethyl)amino]ethanol
CID 138492031
N-(2-chloroethyl)-3-methyl-N-(2,2,2-trifluoroethyl)but-2-en-1-amine
CID 107901329
N-(2-chloroethyl)-N-(cyclobutylmethyl)-2,2,2-trifluoroethanamine
CID 107489173
2-[3,3-diethoxypropyl(2,2,2-trifluoroethyl)amino]ethanol
CID 107481342
N-(2-chloroethyl)-2,2,2-trifluoro-N-[(6-methoxy-2-pyridinyl)methyl]ethanamine
CID 107489225
3-bromo-N,2,2-trimethyl-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 81062792

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
The IUPAC name of N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine (CID 107488954) is N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine.
What is the SMILES notation for N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
The canonical SMILES for N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine is CC(C)OCCN(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
The InChIKey is PQNMVBHPWDZNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClF3NO/c1-8(2)15-6-5-14(4-3-10)7-9(11,12)13/h8H,3-7H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine?
N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine has a molecular weight of 247.69 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine is sourced from PubChem (CID 107488954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).