(2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one

C14H25FO2 — CID 166655745

IUPAC(2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one
SMILESCC[C@@H](O)[C@H](C)[C@]1(CC)C[C@H](F)C(=O)[C@H]1CC
InChIInChI=1S/C14H25FO2/c1-5-10-13(17)11(15)8-14(10,7-3)9(4)12(16)6-2/h9-12,16H,5-8H2,1-4H3/t9-,10+,11-,12+,14-/m0/s1
InChIKeyYZSXAKHIVXOMHA-XJGUIPMBSA-N
MW244.35 g/mol
LogP3.13
Rot. Bonds5

About (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one

(2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one (PubChem CID 166655745) has the molecular formula C14H25FO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one
PubChem CID166655745
Molecular FormulaC14H25FO2
Molecular Weight244.35 g/mol
Exact Mass244.18
IUPAC Name(2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one
SMILESCC[C@@H](O)[C@H](C)[C@]1(CC)C[C@H](F)C(=O)[C@H]1CC
InChIInChI=1S/C14H25FO2/c1-5-10-13(17)11(15)8-14(10,7-3)9(4)12(16)6-2/h9-12,16H,5-8H2,1-4H3/t9-,10+,11-,12+,14-/m0/s1
InChIKeyYZSXAKHIVXOMHA-XJGUIPMBSA-N
XLogP3.13
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one?
The IUPAC name of (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one (CID 166655745) is (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one.
What is the SMILES notation for (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one?
The canonical SMILES for (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one is CC[C@@H](O)[C@H](C)[C@]1(CC)C[C@H](F)C(=O)[C@H]1CC.
What is the InChIKey of (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one?
The InChIKey is YZSXAKHIVXOMHA-XJGUIPMBSA-N. The full InChI is InChI=1S/C14H25FO2/c1-5-10-13(17)11(15)8-14(10,7-3)9(4)12(16)6-2/h9-12,16H,5-8H2,1-4H3/t9-,10+,11-,12+,14-/m0/s1.
What are the key properties of (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one?
(2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one has a molecular weight of 244.35 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S)-2,3-diethyl-5-fluoro-3-[(2R,3R)-3-hydroxypentan-2-yl]cyclopentan-1-one is sourced from PubChem (CID 166655745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).