2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine

C14H28FNO — CID 167046762

IUPAC2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine
SMILESC=CCCC(CC[C@@](C)(F)CC)OCCNC
InChIInChI=1S/C14H28FNO/c1-5-7-8-13(17-12-11-16-4)9-10-14(3,15)6-2/h5,13,16H,1,6-12H2,2-4H3/t13?,14-/m0/s1
InChIKeyJOAXJZCFDBXBRG-KZUDCZAMSA-N
MW245.38 g/mol
LogP3.48
Rot. Bonds11

About 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine

2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine (PubChem CID 167046762) has the molecular formula C14H28FNO and a molecular weight of 245.38 g/mol. Its IUPAC name is 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine.

Molecular Properties

Compound Name2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine
PubChem CID167046762
Molecular FormulaC14H28FNO
Molecular Weight245.38 g/mol
Exact Mass245.22
IUPAC Name2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine
SMILESC=CCCC(CC[C@@](C)(F)CC)OCCNC
InChIInChI=1S/C14H28FNO/c1-5-7-8-13(17-12-11-16-4)9-10-14(3,15)6-2/h5,13,16H,1,6-12H2,2-4H3/t13?,14-/m0/s1
InChIKeyJOAXJZCFDBXBRG-KZUDCZAMSA-N
XLogP3.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 53.48
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 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine?
The IUPAC name of 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine (CID 167046762) is 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine.
What is the SMILES notation for 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine?
The canonical SMILES for 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine is C=CCCC(CC[C@@](C)(F)CC)OCCNC.
What is the InChIKey of 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine?
The InChIKey is JOAXJZCFDBXBRG-KZUDCZAMSA-N. The full InChI is InChI=1S/C14H28FNO/c1-5-7-8-13(17-12-11-16-4)9-10-14(3,15)6-2/h5,13,16H,1,6-12H2,2-4H3/t13?,14-/m0/s1.
What are the key properties of 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine?
2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine has a molecular weight of 245.38 g/mol, XLogP of 3.48, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8S)-8-fluoro-8-methyldec-1-en-5-yl]oxy-N-methylethanamine is sourced from PubChem (CID 167046762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).