4-tert-butyl-3-fluorocyclohexan-1-ol

C10H19FO — CID 130142729

IUPAC4-tert-butyl-3-fluorocyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1F
InChIInChI=1S/C10H19FO/c1-10(2,3)8-5-4-7(12)6-9(8)11/h7-9,12H,4-6H2,1-3H3
InChIKeyBSBQUTFGILQXFT-UHFFFAOYSA-N
MW174.26 g/mol
LogP2.53
Rot. Bonds

About 4-tert-butyl-3-fluorocyclohexan-1-ol

4-tert-butyl-3-fluorocyclohexan-1-ol (PubChem CID 130142729) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is 4-tert-butyl-3-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-fluorocyclohexan-1-ol
PubChem CID130142729
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Name4-tert-butyl-3-fluorocyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1F
InChIInChI=1S/C10H19FO/c1-10(2,3)8-5-4-7(12)6-9(8)11/h7-9,12H,4-6H2,1-3H3
InChIKeyBSBQUTFGILQXFT-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-fluorocyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-fluorocyclohexan-1-ol (CID 130142729) is 4-tert-butyl-3-fluorocyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-fluorocyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-fluorocyclohexan-1-ol is CC(C)(C)C1CCC(O)CC1F.
What is the InChIKey of 4-tert-butyl-3-fluorocyclohexan-1-ol?
The InChIKey is BSBQUTFGILQXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO/c1-10(2,3)8-5-4-7(12)6-9(8)11/h7-9,12H,4-6H2,1-3H3.
What are the key properties of 4-tert-butyl-3-fluorocyclohexan-1-ol?
4-tert-butyl-3-fluorocyclohexan-1-ol has a molecular weight of 174.26 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-fluorocyclohexan-1-ol is sourced from PubChem (CID 130142729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).