2-fluorobutan-2-yl adamantane-1-carboxylate

C15H23FO2 — CID 158975726

IUPAC2-fluorobutan-2-yl adamantane-1-carboxylate
SMILESCCC(C)(F)OC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23FO2/c1-3-14(2,16)18-13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,3-9H2,1-2H3
InChIKeyHLMJWXRJMCVPAM-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.84
Rot. Bonds3

About 2-fluorobutan-2-yl adamantane-1-carboxylate

2-fluorobutan-2-yl adamantane-1-carboxylate (PubChem CID 158975726) has the molecular formula C15H23FO2 and a molecular weight of 254.34 g/mol. Its IUPAC name is 2-fluorobutan-2-yl adamantane-1-carboxylate.

Molecular Properties

Compound Name2-fluorobutan-2-yl adamantane-1-carboxylate
PubChem CID158975726
Molecular FormulaC15H23FO2
Molecular Weight254.34 g/mol
Exact Mass254.17
IUPAC Name2-fluorobutan-2-yl adamantane-1-carboxylate
SMILESCCC(C)(F)OC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H23FO2/c1-3-14(2,16)18-13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,3-9H2,1-2H3
InChIKeyHLMJWXRJMCVPAM-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(adamantane-1-carbonyloxy)-2,5-dimethylhexan-2-yl] adamantane-1-carboxylate
CID 15476348
2-(adamantane-1-carbonyloxy)-3,3,3-trifluoro-2-methylpropanoic acid
CID 118546566
(2-methyl-4-oxopentan-2-yl) adamantane-1-carboxylate
CID 59945043
3-(adamantane-1-carbonyloxy)-2,2-difluoro-3,4-dimethylpentanoic acid
CID 164746524
3,3,4,4-tetrafluoropentyl adamantane-1-carboxylate
CID 58122770
1-(1-adamantyl)-2,2-dimethylbutan-1-one
CID 123820208
[1,1,2,2,3,3-hexafluoro-4-[2-(2-methylbutanoyloxy)ethoxy]-4-oxobutyl] adamantane-1-carboxylate
CID 118906641
(2-bromo-2,2-difluoroethyl) adamantane-1-carboxylate
CID 59185161
2-(1,1,2,2,3,3-hexafluorobutoxy)ethyl adamantane-1-carboxylate
CID 89280247
[2-(1-adamantyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] 2,2-dimethylpropanoate
CID 130411405
[1,1,2,2-tetrafluoro-3-[2-(2-methylpropanoyloxy)ethoxy]-3-oxopropyl] adamantane-1-carboxylate
CID 118910590
6,6,7,7-tetrafluorooctyl adamantane-1-carboxylate
CID 89280251

Frequently Asked Questions

What is the IUPAC name of 2-fluorobutan-2-yl adamantane-1-carboxylate?
The IUPAC name of 2-fluorobutan-2-yl adamantane-1-carboxylate (CID 158975726) is 2-fluorobutan-2-yl adamantane-1-carboxylate.
What is the SMILES notation for 2-fluorobutan-2-yl adamantane-1-carboxylate?
The canonical SMILES for 2-fluorobutan-2-yl adamantane-1-carboxylate is CCC(C)(F)OC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-fluorobutan-2-yl adamantane-1-carboxylate?
The InChIKey is HLMJWXRJMCVPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO2/c1-3-14(2,16)18-13(17)15-7-10-4-11(8-15)6-12(5-10)9-15/h10-12H,3-9H2,1-2H3.
What are the key properties of 2-fluorobutan-2-yl adamantane-1-carboxylate?
2-fluorobutan-2-yl adamantane-1-carboxylate has a molecular weight of 254.34 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutan-2-yl adamantane-1-carboxylate is sourced from PubChem (CID 158975726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).