4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol

C11H21FO — CID 11321411

IUPAC4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(CF)CC1
InChIInChI=1S/C11H21FO/c1-10(2,3)9-4-6-11(13,8-12)7-5-9/h9,13H,4-8H2,1-3H3
InChIKeyQZYKXYHMPDORAJ-UHFFFAOYSA-N
MW188.29 g/mol
LogP2.92
Rot. Bonds1

About 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol

4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol (PubChem CID 11321411) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol
PubChem CID11321411
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)(CF)CC1
InChIInChI=1S/C11H21FO/c1-10(2,3)9-4-6-11(13,8-12)7-5-9/h9,13H,4-8H2,1-3H3
InChIKeyQZYKXYHMPDORAJ-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol (CID 11321411) is 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)(CF)CC1.
What is the InChIKey of 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol?
The InChIKey is QZYKXYHMPDORAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-10(2,3)9-4-6-11(13,8-12)7-5-9/h9,13H,4-8H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol?
4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol has a molecular weight of 188.29 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(fluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 11321411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).