3,3-difluoro-4-hydroxynonan-2-one

C9H16F2O2 — CID 100955268

IUPAC3,3-difluoro-4-hydroxynonan-2-one
SMILESCCCCCC(O)C(F)(F)C(C)=O
InChIInChI=1S/C9H16F2O2/c1-3-4-5-6-8(13)9(10,11)7(2)12/h8,13H,3-6H2,1-2H3
InChIKeyNFERYYUHFIFIHF-UHFFFAOYSA-N
MW194.22 g/mol
LogP2.15
Rot. Bonds6

About 3,3-difluoro-4-hydroxynonan-2-one

3,3-difluoro-4-hydroxynonan-2-one (PubChem CID 100955268) has the molecular formula C9H16F2O2 and a molecular weight of 194.22 g/mol. Its IUPAC name is 3,3-difluoro-4-hydroxynonan-2-one.

Molecular Properties

Compound Name3,3-difluoro-4-hydroxynonan-2-one
PubChem CID100955268
Molecular FormulaC9H16F2O2
Molecular Weight194.22 g/mol
Exact Mass194.11
IUPAC Name3,3-difluoro-4-hydroxynonan-2-one
SMILESCCCCCC(O)C(F)(F)C(C)=O
InChIInChI=1S/C9H16F2O2/c1-3-4-5-6-8(13)9(10,11)7(2)12/h8,13H,3-6H2,1-2H3
InChIKeyNFERYYUHFIFIHF-UHFFFAOYSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3,4,5-trihydroxy-4-pentyldecan-2-one
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(2R,3S)-2-amino-3-hydroxy-2-methyloctanoic acid
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nonan-3-ol;2,2,2-trifluoroacetic acid
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2-methylheptane;propan-2-ol;propan-2-one
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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-hydroxynonan-2-one?
The IUPAC name of 3,3-difluoro-4-hydroxynonan-2-one (CID 100955268) is 3,3-difluoro-4-hydroxynonan-2-one.
What is the SMILES notation for 3,3-difluoro-4-hydroxynonan-2-one?
The canonical SMILES for 3,3-difluoro-4-hydroxynonan-2-one is CCCCCC(O)C(F)(F)C(C)=O.
What is the InChIKey of 3,3-difluoro-4-hydroxynonan-2-one?
The InChIKey is NFERYYUHFIFIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O2/c1-3-4-5-6-8(13)9(10,11)7(2)12/h8,13H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-4-hydroxynonan-2-one?
3,3-difluoro-4-hydroxynonan-2-one has a molecular weight of 194.22 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-hydroxynonan-2-one is sourced from PubChem (CID 100955268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).