5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine

C10H17F4NO — CID 103475017

IUPAC5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
SMILESC=C(C)CCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO/c1-7(2)3-4-8(15)5-16-6-10(13,14)9(11)12/h8-9H,1,3-6,15H2,2H3
InChIKeyUPMRANOEBBJADQ-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.59
Rot. Bonds8

About 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine

5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine (PubChem CID 103475017) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine.

Molecular Properties

Compound Name5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
PubChem CID103475017
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC Name5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
SMILESC=C(C)CCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO/c1-7(2)3-4-8(15)5-16-6-10(13,14)9(11)12/h8-9H,1,3-6,15H2,2H3
InChIKeyUPMRANOEBBJADQ-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
The IUPAC name of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine (CID 103475017) is 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine.
What is the SMILES notation for 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
The canonical SMILES for 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine is C=C(C)CCC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
The InChIKey is UPMRANOEBBJADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c1-7(2)3-4-8(15)5-16-6-10(13,14)9(11)12/h8-9H,1,3-6,15H2,2H3.
What are the key properties of 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine has a molecular weight of 243.24 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine is sourced from PubChem (CID 103475017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).