N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C10H19ClF3NO — CID 63386794

IUPACN-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCN(CCCl)CCCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO/c1-2-5-15(7-4-11)6-3-8-16-9-10(12,13)14/h2-9H2,1H3
InChIKeyXOFKECCFERPFCM-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.91
Rot. Bonds9

About N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 63386794) has the molecular formula C10H19ClF3NO and a molecular weight of 261.71 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID63386794
Molecular FormulaC10H19ClF3NO
Molecular Weight261.71 g/mol
Exact Mass261.11
IUPAC NameN-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCCCN(CCCl)CCCOCC(F)(F)F
InChIInChI=1S/C10H19ClF3NO/c1-2-5-15(7-4-11)6-3-8-16-9-10(12,13)14/h2-9H2,1H3
InChIKeyXOFKECCFERPFCM-UHFFFAOYSA-N
XLogP2.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.91
H-Bond Donors ≤ 50
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

CID 63386739
CID 63386739
CID 63386916
CID 63386916
CID 63387086
CID 63387086
CID 63387377
CID 63387377
CID 63387415
CID 63387415
CID 63387449
CID 63387449
CID 63387453
CID 63387453
CID 63387581
CID 63387581
CID 63387833
CID 63387833
CID 63387910
CID 63387910
CID 63388168
CID 63388168
CID 63388282
CID 63388282

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 63386794) is N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CCCN(CCCl)CCCOCC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is XOFKECCFERPFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClF3NO/c1-2-5-15(7-4-11)6-3-8-16-9-10(12,13)14/h2-9H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 261.71 g/mol, XLogP of 2.91, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 63386794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).