N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine

C10H18F5NO — CID 103082676

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCOCC(F)F
InChIInChI=1S/C10H18F5NO/c1-8(3-2-4-10(13,14)15)16-5-6-17-7-9(11)12/h8-9,16H,2-7H2,1H3
InChIKeyAWTLLVYDEOLXTH-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.98
Rot. Bonds9

About N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine (PubChem CID 103082676) has the molecular formula C10H18F5NO and a molecular weight of 263.25 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine
PubChem CID103082676
Molecular FormulaC10H18F5NO
Molecular Weight263.25 g/mol
Exact Mass263.13
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine
SMILESCC(CCCC(F)(F)F)NCCOCC(F)F
InChIInChI=1S/C10H18F5NO/c1-8(3-2-4-10(13,14)15)16-5-6-17-7-9(11)12/h8-9,16H,2-7H2,1H3
InChIKeyAWTLLVYDEOLXTH-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.98
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-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine (CID 103082676) is N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine is CC(CCCC(F)(F)F)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine?
The InChIKey is AWTLLVYDEOLXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F5NO/c1-8(3-2-4-10(13,14)15)16-5-6-17-7-9(11)12/h8-9,16H,2-7H2,1H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine has a molecular weight of 263.25 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 103082676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).