tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate

C14H25FO2 — CID 145403821

IUPACtert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)C1(F)CCCCC1
InChIInChI=1S/C14H25FO2/c1-12(2,3)17-11(16)13(4,5)14(15)9-7-6-8-10-14/h6-10H2,1-5H3
InChIKeyBLOQHRMRPXRSFQ-UHFFFAOYSA-N
MW244.35 g/mol
LogP4.03
Rot. Bonds2

About tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate

tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate (PubChem CID 145403821) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate
PubChem CID145403821
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Nametert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate
SMILESCC(C)(C)OC(=O)C(C)(C)C1(F)CCCCC1
InChIInChI=1S/C14H25FO2/c1-12(2,3)17-11(16)13(4,5)14(15)9-7-6-8-10-14/h6-10H2,1-5H3
InChIKeyBLOQHRMRPXRSFQ-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate?
The IUPAC name of tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate (CID 145403821) is tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate is CC(C)(C)OC(=O)C(C)(C)C1(F)CCCCC1.
What is the InChIKey of tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate?
The InChIKey is BLOQHRMRPXRSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FO2/c1-12(2,3)17-11(16)13(4,5)14(15)9-7-6-8-10-14/h6-10H2,1-5H3.
What are the key properties of tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate?
tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate has a molecular weight of 244.35 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-fluorocyclohexyl)-2-methylpropanoate is sourced from PubChem (CID 145403821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).