fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate

C10H17FO3 — CID 174957614

IUPACfluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)C1(C(=O)OF)CCCC(O)C1
InChIInChI=1S/C10H17FO3/c1-7(2)10(9(13)14-11)5-3-4-8(12)6-10/h7-8,12H,3-6H2,1-2H3
InChIKeyOHBSMGBCTPISRE-UHFFFAOYSA-N
MW204.24 g/mol
LogP1.99
Rot. Bonds2

About fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate

fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate (PubChem CID 174957614) has the molecular formula C10H17FO3 and a molecular weight of 204.24 g/mol. Its IUPAC name is fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate.

Molecular Properties

Compound Namefluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate
PubChem CID174957614
Molecular FormulaC10H17FO3
Molecular Weight204.24 g/mol
Exact Mass204.12
IUPAC Namefluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate
SMILESCC(C)C1(C(=O)OF)CCCC(O)C1
InChIInChI=1S/C10H17FO3/c1-7(2)10(9(13)14-11)5-3-4-8(12)6-10/h7-8,12H,3-6H2,1-2H3
InChIKeyOHBSMGBCTPISRE-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate?
The IUPAC name of fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate (CID 174957614) is fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate.
What is the SMILES notation for fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate?
The canonical SMILES for fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate is CC(C)C1(C(=O)OF)CCCC(O)C1.
What is the InChIKey of fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate?
The InChIKey is OHBSMGBCTPISRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO3/c1-7(2)10(9(13)14-11)5-3-4-8(12)6-10/h7-8,12H,3-6H2,1-2H3.
What are the key properties of fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate?
fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate has a molecular weight of 204.24 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-hydroxy-1-propan-2-ylcyclohexane-1-carboxylate is sourced from PubChem (CID 174957614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).