N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine

C10H19F2NO — CID 103082750

IUPACN-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCOCC(F)F
InChIInChI=1S/C10H19F2NO/c1-3-4-5-9(2)13-6-7-14-8-10(11)12/h3,9-10,13H,1,4-8H2,2H3
InChIKeyJZBBFGCOABQSOH-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.21
Rot. Bonds9

About N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine (PubChem CID 103082750) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine
PubChem CID103082750
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine
SMILESC=CCCC(C)NCCOCC(F)F
InChIInChI=1S/C10H19F2NO/c1-3-4-5-9(2)13-6-7-14-8-10(11)12/h3,9-10,13H,1,4-8H2,2H3
InChIKeyJZBBFGCOABQSOH-UHFFFAOYSA-N
XLogP2.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine (CID 103082750) is N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine is C=CCCC(C)NCCOCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine?
The InChIKey is JZBBFGCOABQSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-3-4-5-9(2)13-6-7-14-8-10(11)12/h3,9-10,13H,1,4-8H2,2H3.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine has a molecular weight of 207.26 g/mol, XLogP of 2.21, 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]hex-5-en-2-amine is sourced from PubChem (CID 103082750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).