2-fluoropropan-2-yl hexadecanoate

C19H37FO2 — CID 175252629

IUPAC2-fluoropropan-2-yl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(C)(C)F
InChIInChI=1S/C19H37FO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)22-19(2,3)20/h4-17H2,1-3H3
InChIKeyPYGTVGWHYPIIFD-UHFFFAOYSA-N
MW316.50 g/mol
LogP6.72
Rot. Bonds15

About 2-fluoropropan-2-yl hexadecanoate

2-fluoropropan-2-yl hexadecanoate (PubChem CID 175252629) has the molecular formula C19H37FO2 and a molecular weight of 316.50 g/mol. Its IUPAC name is 2-fluoropropan-2-yl hexadecanoate.

Molecular Properties

Compound Name2-fluoropropan-2-yl hexadecanoate
PubChem CID175252629
Molecular FormulaC19H37FO2
Molecular Weight316.50 g/mol
Exact Mass316.28
IUPAC Name2-fluoropropan-2-yl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OC(C)(C)F
InChIInChI=1S/C19H37FO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)22-19(2,3)20/h4-17H2,1-3H3
InChIKeyPYGTVGWHYPIIFD-UHFFFAOYSA-N
XLogP6.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.50
LogP ≤ 56.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl octacosanoate
CID 174872722
tert-butyl decanoate;hydrochloride
CID 172828660
tert-butyl decanoate;hydrobromide
CID 172791977
butane;tert-butyl nonanoate
CID 175191905
tert-butyl dodecanoate;hydrate
CID 159574999
1,1-diaminoethyl octadecanoate
CID 18692830
1,1,2,2,3,3,3-heptafluoropropyl octacosanoate
CID 54123311
tert-butyl 6-oxotetradecanoate
CID 134901927
tert-butyl heptanoate;dimethylphosphane
CID 175245603
9-methylnonadecan-9-yl octadecanoate
CID 87086259
tert-butyl octanoate;oxalic acid
CID 175523196
1,1-di(docosanoyloxy)propyl docosanoate
CID 140737252

Frequently Asked Questions

What is the IUPAC name of 2-fluoropropan-2-yl hexadecanoate?
The IUPAC name of 2-fluoropropan-2-yl hexadecanoate (CID 175252629) is 2-fluoropropan-2-yl hexadecanoate.
What is the SMILES notation for 2-fluoropropan-2-yl hexadecanoate?
The canonical SMILES for 2-fluoropropan-2-yl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OC(C)(C)F.
What is the InChIKey of 2-fluoropropan-2-yl hexadecanoate?
The InChIKey is PYGTVGWHYPIIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37FO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(21)22-19(2,3)20/h4-17H2,1-3H3.
What are the key properties of 2-fluoropropan-2-yl hexadecanoate?
2-fluoropropan-2-yl hexadecanoate has a molecular weight of 316.50 g/mol, XLogP of 6.72, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoropropan-2-yl hexadecanoate is sourced from PubChem (CID 175252629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).