fluoro 5-methyl-6-phenylhexanoate

C13H17FO2 — CID 174615572

IUPACfluoro 5-methyl-6-phenylhexanoate
SMILESCC(CCCC(=O)OF)Cc1ccccc1
InChIInChI=1S/C13H17FO2/c1-11(6-5-9-13(15)16-14)10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyBMVNODHVVNLWKF-UHFFFAOYSA-N
MW224.28 g/mol
LogP3.46
Rot. Bonds6

About fluoro 5-methyl-6-phenylhexanoate

fluoro 5-methyl-6-phenylhexanoate (PubChem CID 174615572) has the molecular formula C13H17FO2 and a molecular weight of 224.28 g/mol. Its IUPAC name is fluoro 5-methyl-6-phenylhexanoate.

Molecular Properties

Compound Namefluoro 5-methyl-6-phenylhexanoate
PubChem CID174615572
Molecular FormulaC13H17FO2
Molecular Weight224.28 g/mol
Exact Mass224.12
IUPAC Namefluoro 5-methyl-6-phenylhexanoate
SMILESCC(CCCC(=O)OF)Cc1ccccc1
InChIInChI=1S/C13H17FO2/c1-11(6-5-9-13(15)16-14)10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3
InChIKeyBMVNODHVVNLWKF-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
(5R)-5-methyl-N,6-diphenylhexanamide
CID 102237947
methyl 6-(3-chlorophenyl)-5-methylhexanoate
CID 174399912
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
methyl (3R)-3-methyl-4-phenylbutanoate
CID 641406
benzyl(triphenyl)phosphanium;fluoro butanoate
CID 87986174
ethane;2-methylheptylbenzene
CID 142204161
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
methyl 6-phenyl-5-(trifluoromethylsulfonylamino)hexanoate
CID 154713833
benzyl 5-hydroxyhexanoate
CID 86132450
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
benzyl (3R)-6-hydroxy-3-methylhexanoate
CID 58080848

Frequently Asked Questions

What is the IUPAC name of fluoro 5-methyl-6-phenylhexanoate?
The IUPAC name of fluoro 5-methyl-6-phenylhexanoate (CID 174615572) is fluoro 5-methyl-6-phenylhexanoate.
What is the SMILES notation for fluoro 5-methyl-6-phenylhexanoate?
The canonical SMILES for fluoro 5-methyl-6-phenylhexanoate is CC(CCCC(=O)OF)Cc1ccccc1.
What is the InChIKey of fluoro 5-methyl-6-phenylhexanoate?
The InChIKey is BMVNODHVVNLWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-11(6-5-9-13(15)16-14)10-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3.
What are the key properties of fluoro 5-methyl-6-phenylhexanoate?
fluoro 5-methyl-6-phenylhexanoate has a molecular weight of 224.28 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 5-methyl-6-phenylhexanoate is sourced from PubChem (CID 174615572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).