[(2S)-butan-2-yl] 3-fluoropropyl carbonate

C8H15FO3 — CID 99769683

IUPAC[(2S)-butan-2-yl] 3-fluoropropyl carbonate
SMILESCC[C@H](C)OC(=O)OCCCF
InChIInChI=1S/C8H15FO3/c1-3-7(2)12-8(10)11-6-4-5-9/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLYVADNAPCLJOER-ZETCQYMHSA-N
MW178.20 g/mol
LogP2.30
Rot. Bonds5

About [(2S)-butan-2-yl] 3-fluoropropyl carbonate

[(2S)-butan-2-yl] 3-fluoropropyl carbonate (PubChem CID 99769683) has the molecular formula C8H15FO3 and a molecular weight of 178.20 g/mol. Its IUPAC name is [(2S)-butan-2-yl] 3-fluoropropyl carbonate.

Molecular Properties

Compound Name[(2S)-butan-2-yl] 3-fluoropropyl carbonate
PubChem CID99769683
Molecular FormulaC8H15FO3
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC Name[(2S)-butan-2-yl] 3-fluoropropyl carbonate
SMILESCC[C@H](C)OC(=O)OCCCF
InChIInChI=1S/C8H15FO3/c1-3-7(2)12-8(10)11-6-4-5-9/h7H,3-6H2,1-2H3/t7-/m0/s1
InChIKeyLYVADNAPCLJOER-ZETCQYMHSA-N
XLogP2.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-butan-2-yl] pentyl carbonate
CID 87213019
butan-2-yl nonyl carbonate
CID 135224877
[(2R)-butan-2-yl] [(2S)-butan-2-yl] carbonate
CID 173085312
[(2R)-butan-2-yl] [(2R)-butan-2-yl]oxycarbonyloxy carbonate
CID 97292372
butan-2-yl butan-2-yloxycarbonyl carbonate
CID 11183557
3-(1-fluoroethoxycarbonyloxy)propyl 1-fluoroethyl carbonate
CID 118860519
butyl pentan-3-yl carbonate
CID 155213116
1-butan-2-yloxypropan-2-yl 2-hydroxyethyl carbonate;ethane
CID 123501648
dibutan-2-yl 2,3-dimethylbutanedioate
CID 582100
[(2S)-butan-2-yl] [(3S)-2,2,3,4,4,4-hexafluorobutyl] carbonate
CID 99769689
butan-2-yl 4-amino-2-hydroxybutanoate
CID 107837492
butan-2-yl (2R)-2-aminopropanoate
CID 45086644

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl] 3-fluoropropyl carbonate?
The IUPAC name of [(2S)-butan-2-yl] 3-fluoropropyl carbonate (CID 99769683) is [(2S)-butan-2-yl] 3-fluoropropyl carbonate.
What is the SMILES notation for [(2S)-butan-2-yl] 3-fluoropropyl carbonate?
The canonical SMILES for [(2S)-butan-2-yl] 3-fluoropropyl carbonate is CC[C@H](C)OC(=O)OCCCF.
What is the InChIKey of [(2S)-butan-2-yl] 3-fluoropropyl carbonate?
The InChIKey is LYVADNAPCLJOER-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15FO3/c1-3-7(2)12-8(10)11-6-4-5-9/h7H,3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of [(2S)-butan-2-yl] 3-fluoropropyl carbonate?
[(2S)-butan-2-yl] 3-fluoropropyl carbonate has a molecular weight of 178.20 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl] 3-fluoropropyl carbonate is sourced from PubChem (CID 99769683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).