N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine

C10H20F3NO — CID 142009793

IUPACN-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
SMILESCCC(CCNC)OCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-9(5-7-14-2)15-8-4-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyWRUAZMBJAOLALA-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds8

About N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine

N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine (PubChem CID 142009793) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
PubChem CID142009793
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine
SMILESCCC(CCNC)OCCCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-9(5-7-14-2)15-8-4-6-10(11,12)13/h9,14H,3-8H2,1-2H3
InChIKeyWRUAZMBJAOLALA-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine?
The IUPAC name of N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine (CID 142009793) is N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine.
What is the SMILES notation for N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine?
The canonical SMILES for N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine is CCC(CCNC)OCCCC(F)(F)F.
What is the InChIKey of N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine?
The InChIKey is WRUAZMBJAOLALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-9(5-7-14-2)15-8-4-6-10(11,12)13/h9,14H,3-8H2,1-2H3.
What are the key properties of N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine?
N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4,4,4-trifluorobutoxy)pentan-1-amine is sourced from PubChem (CID 142009793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).