N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C8H16F3NO — CID 62443488

IUPACN-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCNCCCCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-12-5-3-2-4-6-13-7-8(9,10)11/h12H,2-7H2,1H3
InChIKeyXCLCKBBRDYSVLH-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.96
Rot. Bonds7

About N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62443488) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62443488
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC NameN-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCNCCCCCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-12-5-3-2-4-6-13-7-8(9,10)11/h12H,2-7H2,1H3
InChIKeyXCLCKBBRDYSVLH-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-aminoethoxy)-3,3-difluoro-N-methylpentan-1-amine
CID 124200898
3,3-difluoro-5-methoxy-N-methylpentan-1-amine
CID 126619715
3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
N-tert-butyl-3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 126671493
3,3-difluoro-N-(1-iodoethyl)-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 138656871
N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 142009793
3,3-Difluoro-5-(methylamino)pentan-1-ol;ethane
CID 142295329
3,3-Difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen
CID 142390458
N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine
CID 146342441
3,3-difluoro-5-[(2-methylpropan-2-yl)oxy]-N-propan-2-ylpentan-1-amine
CID 146549602
5-ethoxy-3,3-difluoro-N-propan-2-ylpentan-1-amine
CID 146587519
N-tert-butyl-3,3-difluoro-5-propan-2-yloxypentan-1-amine
CID 146607019

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62443488) is N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CNCCCCCOCC(F)(F)F.
What is the InChIKey of N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is XCLCKBBRDYSVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-12-5-3-2-4-6-13-7-8(9,10)11/h12H,2-7H2,1H3.
What are the key properties of N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62443488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).