1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane

C13H25FO — CID 164775367

IUPAC1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane
SMILESCC(C)OC1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C13H25FO/c1-9(2)15-10-6-7-11(12(14)8-10)13(3,4)5/h9-12H,6-8H2,1-5H3
InChIKeyPGTLPKSKNUUOAX-UHFFFAOYSA-N
MW216.34 g/mol
LogP3.96
Rot. Bonds2

About 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane

1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane (PubChem CID 164775367) has the molecular formula C13H25FO and a molecular weight of 216.34 g/mol. Its IUPAC name is 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane.

Molecular Properties

Compound Name1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane
PubChem CID164775367
Molecular FormulaC13H25FO
Molecular Weight216.34 g/mol
Exact Mass216.19
IUPAC Name1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane
SMILESCC(C)OC1CCC(C(C)(C)C)C(F)C1
InChIInChI=1S/C13H25FO/c1-9(2)15-10-6-7-11(12(14)8-10)13(3,4)5/h9-12H,6-8H2,1-5H3
InChIKeyPGTLPKSKNUUOAX-UHFFFAOYSA-N
XLogP3.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxy-4-(2-methylbutan-2-yl)cyclohexane
CID 18974564
1-Methoxy-4-tert-pentylcyclohexane
CID 3420996
1-Tert-butyl-4-methoxycyclohexane
CID 139997
1-Methoxy-4-(propan-2-yl)cyclohexane
CID 23594959
1-Tert-butyl-4-(trifluoromethoxy)cyclohexane
CID 138972410
(4-Tert-butylcyclohexyl) carbonofluoridate
CID 101175862
4-Tert-butyl-3-fluorocyclohexan-1-ol
CID 130142729
1-Tert-butyl-4-(3,3,3-trifluoroprop-1-en-2-yloxy)cyclohexane
CID 135080583
6-Tert-butyl-2-methyl-1-oxaspiro[2.5]octane
CID 13349188
Sodium 4-tert-butylcyclohexan-1-olate
CID 23680198
1-(2-Fluoroethyl)-4-methoxycyclohexane
CID 18343975
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane?
The IUPAC name of 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane (CID 164775367) is 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane.
What is the SMILES notation for 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane?
The canonical SMILES for 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane is CC(C)OC1CCC(C(C)(C)C)C(F)C1.
What is the InChIKey of 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane?
The InChIKey is PGTLPKSKNUUOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO/c1-9(2)15-10-6-7-11(12(14)8-10)13(3,4)5/h9-12H,6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane?
1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane has a molecular weight of 216.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-fluoro-4-propan-2-yloxycyclohexane is sourced from PubChem (CID 164775367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).