CID 59530168

C6H11FO — CID 59530168

IUPAC—
SMILES[CH]C(CC)COCF
InChIInChI=1S/C6H11FO/c1-3-6(2)4-8-5-7/h2,6H,3-5H2,1H3
InChIKeyOVYJRHQTPZPAFR-UHFFFAOYSA-N
MW118.15 g/mol
LogP1.67
Rot. Bonds4

About CID 59530168

CID 59530168 (PubChem CID 59530168) has the molecular formula C6H11FO and a molecular weight of 118.15 g/mol.

Molecular Properties

Compound NameCID 59530168
PubChem CID59530168
Molecular FormulaC6H11FO
Molecular Weight118.15 g/mol
Exact Mass118.08
IUPAC Name—
SMILES[CH]C(CC)COCF
InChIInChI=1S/C6H11FO/c1-3-6(2)4-8-5-7/h2,6H,3-5H2,1H3
InChIKeyOVYJRHQTPZPAFR-UHFFFAOYSA-N
XLogP1.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Butane, 1-methoxy-3-methyl-
CID 136445
1-Methoxy-2-methylbutane
CID 522007
Fluorobutyl methyl ether
CID 20582799
2-Fluoro-1-methoxybutane
CID 12700781
4-Ethoxy-1,2,2-trifluoro-3-methylbutane
CID 15507745
4-Butoxy-1-fluoro-2-methylbutane
CID 20651931
1-Ethoxy-1,1-difluoro-2-methylbutane
CID 20802235
1-Ethoxy-1-fluoro-2-(fluoromethyl)butane
CID 21357107
2-(Ethoxymethyl)-1,1,1-trifluorobutane
CID 22002892
1-Ethoxy-3-fluoro-2-methylpropane
CID 22002896
1-Fluoro-1-methoxybutane
CID 22326021
1,1,1-Trifluoro-4-methoxy-2-methylbutane
CID 54079436

Frequently Asked Questions

What is the IUPAC name of CID 59530168?
The IUPAC name of CID 59530168 (CID 59530168) is not available.
What is the SMILES notation for CID 59530168?
The canonical SMILES for CID 59530168 is [CH]C(CC)COCF.
What is the InChIKey of CID 59530168?
The InChIKey is OVYJRHQTPZPAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO/c1-3-6(2)4-8-5-7/h2,6H,3-5H2,1H3.
What are the key properties of CID 59530168?
CID 59530168 has a molecular weight of 118.15 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59530168 is sourced from PubChem (CID 59530168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).