N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine

C10H20F3NO — CID 62444258

IUPACN-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(CNCC(C)C)OCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(6-14-5-8(2)3)15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyDNRMEONZYSTJPX-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds7

About N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine

N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62444258) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62444258
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCC(CNCC(C)C)OCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-9(6-14-5-8(2)3)15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyDNRMEONZYSTJPX-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62444258) is N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine is CCC(CNCC(C)C)OCC(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is DNRMEONZYSTJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-9(6-14-5-8(2)3)15-7-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine?
N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62444258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).