2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C6H12F3NO — CID 43175045

IUPAC2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(CN)COCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(2-10)3-11-4-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyBAOONRUUQIPKOM-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.16
Rot. Bonds4

About 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 43175045) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID43175045
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESCC(CN)COCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(2-10)3-11-4-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyBAOONRUUQIPKOM-UHFFFAOYSA-N
XLogP1.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2,2-Trifluoroethoxy)propan-1-amine hydrochloride
CID 42941139
3-Ethoxy-2-methylpropan-1-amine
CID 43175050
3-(2,2-Difluoroethoxy)propan-1-amine
CID 58684905
3-(Difluoromethoxy)propan-1-amine
CID 75488618
3-(2,2,2-Trifluoroethoxy)propan-1-amine
CID 4737374
2,2-Difluoro-3-(propan-2-yloxy)propan-1-amine
CID 58303686
3-(4,4,4-Trifluorobutoxy)propan-1-amine
CID 58684367
3-(3,3,3-Trifluoropropoxy)propan-1-amine
CID 58684618
3-(Trifluoromethoxy)propan-1-amine
CID 64984851
2,2-Difluoro-3-methoxypropan-1-amine
CID 84716052
3-(Fluoromethoxy)-2-methylpropan-1-amine
CID 88585743
3-Ethoxy-2,2-difluoropropan-1-amine
CID 105428008

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 43175045) is 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is CC(CN)COCC(F)(F)F.
What is the InChIKey of 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is BAOONRUUQIPKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-5(2-10)3-11-4-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 43175045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).