5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine

C15H27F2N — CID 174001569

IUPAC5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine
SMILESC=C(CCNCCC)C(C(F)=CCC)[C@@H](C)CF
InChIInChI=1S/C15H27F2N/c1-5-7-14(17)15(13(4)11-16)12(3)8-10-18-9-6-2/h7,13,15,18H,3,5-6,8-11H2,1-2,4H3/t13-,15?/m0/s1
InChIKeyVYHGPZUAJJUPSH-CFMCSPIPSA-N
MW259.38 g/mol
LogP4.42
Rot. Bonds10

About 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine

5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine (PubChem CID 174001569) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine.

Molecular Properties

Compound Name5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine
PubChem CID174001569
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine
SMILESC=C(CCNCCC)C(C(F)=CCC)[C@@H](C)CF
InChIInChI=1S/C15H27F2N/c1-5-7-14(17)15(13(4)11-16)12(3)8-10-18-9-6-2/h7,13,15,18H,3,5-6,8-11H2,1-2,4H3/t13-,15?/m0/s1
InChIKeyVYHGPZUAJJUPSH-CFMCSPIPSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine?
The IUPAC name of 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine (CID 174001569) is 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine.
What is the SMILES notation for 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine?
The canonical SMILES for 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine is C=C(CCNCCC)C(C(F)=CCC)[C@@H](C)CF.
What is the InChIKey of 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine?
The InChIKey is VYHGPZUAJJUPSH-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H27F2N/c1-5-7-14(17)15(13(4)11-16)12(3)8-10-18-9-6-2/h7,13,15,18H,3,5-6,8-11H2,1-2,4H3/t13-,15?/m0/s1.
What are the key properties of 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine?
5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine has a molecular weight of 259.38 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[(2R)-1-fluoropropan-2-yl]-3-methylidene-N-propyloct-5-en-1-amine is sourced from PubChem (CID 174001569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).