2-fluoro-5-hydroxycyclohexane-1-carbaldehyde

C7H11FO2 — CID 174807161

IUPAC2-fluoro-5-hydroxycyclohexane-1-carbaldehyde
SMILESO=CC1CC(O)CCC1F
InChIInChI=1S/C7H11FO2/c8-7-2-1-6(10)3-5(7)4-9/h4-7,10H,1-3H2
InChIKeyNMVVLERAZAAYDI-UHFFFAOYSA-N
MW146.16 g/mol
LogP0.68
Rot. Bonds1

About 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde

2-fluoro-5-hydroxycyclohexane-1-carbaldehyde (PubChem CID 174807161) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name2-fluoro-5-hydroxycyclohexane-1-carbaldehyde
PubChem CID174807161
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name2-fluoro-5-hydroxycyclohexane-1-carbaldehyde
SMILESO=CC1CC(O)CCC1F
InChIInChI=1S/C7H11FO2/c8-7-2-1-6(10)3-5(7)4-9/h4-7,10H,1-3H2
InChIKeyNMVVLERAZAAYDI-UHFFFAOYSA-N
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde?
The IUPAC name of 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde (CID 174807161) is 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde.
What is the SMILES notation for 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde?
The canonical SMILES for 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde is O=CC1CC(O)CCC1F.
What is the InChIKey of 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde?
The InChIKey is NMVVLERAZAAYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c8-7-2-1-6(10)3-5(7)4-9/h4-7,10H,1-3H2.
What are the key properties of 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde?
2-fluoro-5-hydroxycyclohexane-1-carbaldehyde has a molecular weight of 146.16 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-hydroxycyclohexane-1-carbaldehyde is sourced from PubChem (CID 174807161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).