N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C11H22F3NO — CID 79621830

IUPACN-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)(CNC(C)(C)C)COCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2,3)15-6-10(4,5)7-16-8-11(12,13)14/h15H,6-8H2,1-5H3
InChIKeySOSXXHUFAIEIFR-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds5

About N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 79621830) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID79621830
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(C)(CNC(C)(C)C)COCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2,3)15-6-10(4,5)7-16-8-11(12,13)14/h15H,6-8H2,1-5H3
InChIKeySOSXXHUFAIEIFR-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2,2-dimethyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956991
N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151556
N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667762
N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62723721
N-tert-butyl-N',2,2-trimethyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62257915
N-tert-butyl-2,2-dimethyl-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-1-amine
CID 79628383
N-tert-butyl-3-[(4-methoxyphenyl)methoxy]-2,2-dimethylpropan-1-amine
CID 79628757
N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
CID 161286345
N-tert-butyl-3-cyclobutyloxy-2,2-dimethylpropan-1-amine
CID 79620356
N-tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 55083389
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
3-(3-hydroxy-2,2-dimethylpropoxy)-2,2-dimethylpropan-1-ol
CID 14512536

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 79621830) is N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC(C)(CNC(C)(C)C)COCC(F)(F)F.
What is the InChIKey of N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is SOSXXHUFAIEIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2,3)15-6-10(4,5)7-16-8-11(12,13)14/h15H,6-8H2,1-5H3.
What are the key properties of N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-dimethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 79621830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).