(2S)-2-fluorocyclohexan-1-one

C6H9FO — CID 42552906

IUPAC(2S)-2-fluorocyclohexan-1-one
SMILESO=C1CCCC[C@@H]1F
InChIInChI=1S/C6H9FO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2/t5-/m0/s1
InChIKeyVQYOFTVCYSPHPG-YFKPBYRVSA-N
MW116.13 g/mol
LogP1.47
Rot. Bonds

About (2S)-2-fluorocyclohexan-1-one

(2S)-2-fluorocyclohexan-1-one (PubChem CID 42552906) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is (2S)-2-fluorocyclohexan-1-one.

Molecular Properties

Compound Name(2S)-2-fluorocyclohexan-1-one
PubChem CID42552906
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name(2S)-2-fluorocyclohexan-1-one
SMILESO=C1CCCC[C@@H]1F
InChIInChI=1S/C6H9FO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2/t5-/m0/s1
InChIKeyVQYOFTVCYSPHPG-YFKPBYRVSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluorocyclohexan-1-one?
The IUPAC name of (2S)-2-fluorocyclohexan-1-one (CID 42552906) is (2S)-2-fluorocyclohexan-1-one.
What is the SMILES notation for (2S)-2-fluorocyclohexan-1-one?
The canonical SMILES for (2S)-2-fluorocyclohexan-1-one is O=C1CCCC[C@@H]1F.
What is the InChIKey of (2S)-2-fluorocyclohexan-1-one?
The InChIKey is VQYOFTVCYSPHPG-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9FO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2/t5-/m0/s1.
What are the key properties of (2S)-2-fluorocyclohexan-1-one?
(2S)-2-fluorocyclohexan-1-one has a molecular weight of 116.13 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluorocyclohexan-1-one is sourced from PubChem (CID 42552906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).