N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

C8H16F3NO — CID 62445776

IUPACN,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(OCC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3NO/c1-6(2)7(4-12-3)13-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyGCNFMBJGGUDTHZ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.81
Rot. Bonds5

About N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62445776) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62445776
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCNCC(OCC(F)(F)F)C(C)C
InChIInChI=1S/C8H16F3NO/c1-6(2)7(4-12-3)13-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyGCNFMBJGGUDTHZ-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-3-(isopentylamino)propan-2-ol
CID 61529702
N-methyl-2-(4,4,4-trifluorobutoxy)butan-1-amine
CID 82792420
N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124
2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
CID 91242229
2-(1,1-Difluoropropan-2-yl)morpholine
CID 148514145
3,3,3-trifluoro-N-methyl-2-propoxypropan-1-amine
CID 168927414
2-methyl-4-[2-[methyl(propyl)amino]ethoxy]-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 169692672
(6R)-6-fluoro-2-propan-2-yl-1,4-oxazepane
CID 171831202
6-Fluoro-2-propan-2-yl-1,4-oxazepane
CID 171831248
(6S)-6-fluoro-2-propan-2-yl-1,4-oxazepane
CID 174258702
ethane;2,2,2-trifluoro-N-(2-propan-2-yloxyethyl)ethanamine
CID 176665498
3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 178797456

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62445776) is N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is CNCC(OCC(F)(F)F)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is GCNFMBJGGUDTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(2)7(4-12-3)13-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62445776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).