5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol

C11H21F2NO — CID 123706605

IUPAC5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol
SMILESCC=C(F)C(CNCC)CC(F)CCO
InChIInChI=1S/C11H21F2NO/c1-3-11(13)9(8-14-4-2)7-10(12)5-6-15/h3,9-10,14-15H,4-8H2,1-2H3
InChIKeyBUELYFLTYSNJFA-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.20
Rot. Bonds8

About 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol

5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol (PubChem CID 123706605) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol.

Molecular Properties

Compound Name5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol
PubChem CID123706605
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol
SMILESCC=C(F)C(CNCC)CC(F)CCO
InChIInChI=1S/C11H21F2NO/c1-3-11(13)9(8-14-4-2)7-10(12)5-6-15/h3,9-10,14-15H,4-8H2,1-2H3
InChIKeyBUELYFLTYSNJFA-UHFFFAOYSA-N
XLogP2.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol?
The IUPAC name of 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol (CID 123706605) is 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol.
What is the SMILES notation for 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol?
The canonical SMILES for 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol is CC=C(F)C(CNCC)CC(F)CCO.
What is the InChIKey of 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol?
The InChIKey is BUELYFLTYSNJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-3-11(13)9(8-14-4-2)7-10(12)5-6-15/h3,9-10,14-15H,4-8H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol?
5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol has a molecular weight of 221.29 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-3,6-difluorooct-6-en-1-ol is sourced from PubChem (CID 123706605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).