2-cyclohexyl-2-fluoroethanol

C8H15FO — CID 58695120

IUPAC2-cyclohexyl-2-fluoroethanol
SMILESOCC(F)C1CCCCC1
InChIInChI=1S/C8H15FO/c9-8(6-10)7-4-2-1-3-5-7/h7-8,10H,1-6H2
InChIKeyCOHAYBDUSGUGIO-UHFFFAOYSA-N
MW146.21 g/mol
LogP1.90
Rot. Bonds2

About 2-cyclohexyl-2-fluoroethanol

2-cyclohexyl-2-fluoroethanol (PubChem CID 58695120) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is 2-cyclohexyl-2-fluoroethanol.

Molecular Properties

Compound Name2-cyclohexyl-2-fluoroethanol
PubChem CID58695120
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Name2-cyclohexyl-2-fluoroethanol
SMILESOCC(F)C1CCCCC1
InChIInChI=1S/C8H15FO/c9-8(6-10)7-4-2-1-3-5-7/h7-8,10H,1-6H2
InChIKeyCOHAYBDUSGUGIO-UHFFFAOYSA-N
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-fluoroethanol?
The IUPAC name of 2-cyclohexyl-2-fluoroethanol (CID 58695120) is 2-cyclohexyl-2-fluoroethanol.
What is the SMILES notation for 2-cyclohexyl-2-fluoroethanol?
The canonical SMILES for 2-cyclohexyl-2-fluoroethanol is OCC(F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-fluoroethanol?
The InChIKey is COHAYBDUSGUGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c9-8(6-10)7-4-2-1-3-5-7/h7-8,10H,1-6H2.
What are the key properties of 2-cyclohexyl-2-fluoroethanol?
2-cyclohexyl-2-fluoroethanol has a molecular weight of 146.21 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-fluoroethanol is sourced from PubChem (CID 58695120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).