[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate

C18H28F2O4 — CID 56608480

IUPAC[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate
SMILESC[C@@H](F)C(=O)OC1CCC(C2CCC(OC(=O)[C@@H](C)F)CC2)CC1
InChIInChI=1S/C18H28F2O4/c1-11(19)17(21)23-15-7-3-13(4-8-15)14-5-9-16(10-6-14)24-18(22)12(2)20/h11-16H,3-10H2,1-2H3/t11-,12-,13?,14?,15?,16?/m1/s1
InChIKeyFQNQLLFWKMIBAY-YLCQGBONSA-N
MW346.41 g/mol
LogP3.91
Rot. Bonds5

About [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate

[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate (PubChem CID 56608480) has the molecular formula C18H28F2O4 and a molecular weight of 346.41 g/mol. Its IUPAC name is [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate.

Molecular Properties

Compound Name[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate
PubChem CID56608480
Molecular FormulaC18H28F2O4
Molecular Weight346.41 g/mol
Exact Mass346.20
IUPAC Name[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate
SMILESC[C@@H](F)C(=O)OC1CCC(C2CCC(OC(=O)[C@@H](C)F)CC2)CC1
InChIInChI=1S/C18H28F2O4/c1-11(19)17(21)23-15-7-3-13(4-8-15)14-5-9-16(10-6-14)24-18(22)12(2)20/h11-16H,3-10H2,1-2H3/t11-,12-,13?,14?,15?,16?/m1/s1
InChIKeyFQNQLLFWKMIBAY-YLCQGBONSA-N
XLogP3.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate?
The IUPAC name of [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate (CID 56608480) is [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate.
What is the SMILES notation for [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate?
The canonical SMILES for [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate is C[C@@H](F)C(=O)OC1CCC(C2CCC(OC(=O)[C@@H](C)F)CC2)CC1.
What is the InChIKey of [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate?
The InChIKey is FQNQLLFWKMIBAY-YLCQGBONSA-N. The full InChI is InChI=1S/C18H28F2O4/c1-11(19)17(21)23-15-7-3-13(4-8-15)14-5-9-16(10-6-14)24-18(22)12(2)20/h11-16H,3-10H2,1-2H3/t11-,12-,13?,14?,15?,16?/m1/s1.
What are the key properties of [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate?
[4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate has a molecular weight of 346.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(2R)-2-fluoropropanoyl]oxycyclohexyl]cyclohexyl] (2R)-2-fluoropropanoate is sourced from PubChem (CID 56608480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).