2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine

C8H16F3NO — CID 82712606

IUPAC2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(C)CNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-4-7(2)5-12-13-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyAATLXEHUOPHLAH-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.51
Rot. Bonds6

About 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine

2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 82712606) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID82712606
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(C)CNOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-4-7(2)5-12-13-6-8(9,10)11/h7,12H,3-6H2,1-2H3
InChIKeyAATLXEHUOPHLAH-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethoxy-2-methylpentan-1-amine
CID 64975004
2-methyl-3-(2,2,2-trifluoroethoxyamino)propanoic acid
CID 82722618
N-pentan-2-yl-2-(2,2,2-trifluoroethoxyamino)acetamide
CID 82721516
1-(diethylamino)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722387
N-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 82711441
(2S)-3-(2,2,2-trifluoroethoxyamino)propane-1,2-diol
CID 82722135
N-(2,2,2-trifluoroethoxy)dodecan-1-amine
CID 82721644
4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
1-[(2-methylpropan-2-yl)oxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82722599
2-methyl-N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 91419201
N-(1-methoxy-2-methylpropan-2-yl)-2-methylpentan-1-amine
CID 115906085
2,3-dimethyl-1-(2,2,2-trifluoroethoxyamino)butan-2-ol
CID 114493475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 82712606) is 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCC(C)CNOCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is AATLXEHUOPHLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-4-7(2)5-12-13-6-8(9,10)11/h7,12H,3-6H2,1-2H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 82712606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).