2-(2,2,2-trifluoroethoxymethyl)butan-1-amine

C7H14F3NO — CID 106705854

IUPAC2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
SMILESCCC(CN)COCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-6(3-11)4-12-5-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyXNMMTOZFKMPAKX-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.55
Rot. Bonds5

About 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine

2-(2,2,2-trifluoroethoxymethyl)butan-1-amine (PubChem CID 106705854) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
PubChem CID106705854
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
SMILESCCC(CN)COCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-6(3-11)4-12-5-7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyXNMMTOZFKMPAKX-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine
CID 106705900
3-ethyl-1-(2,2,2-trifluoroethoxy)pentane
CID 126543060
2-(2,2,2-trifluoroethoxymethyl)pentane-1-sulfonamide
CID 65013118
dichloro-[3-(2,2,2-trifluoroethoxy)-2-(2,2,2-trifluoroethoxymethyl)propoxy]phosphane
CID 166520984
2-ethylpropane-1,3-diamine
CID 14499053
1-(2,2,2-trifluoroethoxy)octan-2-amine
CID 103214891
2-(2,2,2-trifluoroethoxymethyl)butane-1,4-diol
CID 146489799
1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207062
[5-ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151573
N-(1-aminobutan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209512
2-fluoro-1-(2,2,2-trifluoroethoxy)hexane
CID 10703268

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine (CID 106705854) is 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine is CCC(CN)COCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
The InChIKey is XNMMTOZFKMPAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-2-6(3-11)4-12-5-7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine?
2-(2,2,2-trifluoroethoxymethyl)butan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)butan-1-amine is sourced from PubChem (CID 106705854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).