1-tert-butyl-4-fluorocyclohexane

C10H19F — CID 21219366

IUPAC1-tert-butyl-4-fluorocyclohexane
SMILESCC(C)(C)C1CCC(F)CC1
InChIInChI=1S/C10H19F/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7H2,1-3H3
InChIKeyNUUSHJVWWBOOGM-UHFFFAOYSA-N
MW158.26 g/mol
LogP3.56
Rot. Bonds

About 1-tert-butyl-4-fluorocyclohexane

1-tert-butyl-4-fluorocyclohexane (PubChem CID 21219366) has the molecular formula C10H19F and a molecular weight of 158.26 g/mol. Its IUPAC name is 1-tert-butyl-4-fluorocyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-fluorocyclohexane
PubChem CID21219366
Molecular FormulaC10H19F
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name1-tert-butyl-4-fluorocyclohexane
SMILESCC(C)(C)C1CCC(F)CC1
InChIInChI=1S/C10H19F/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7H2,1-3H3
InChIKeyNUUSHJVWWBOOGM-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-fluorocyclohexane?
The IUPAC name of 1-tert-butyl-4-fluorocyclohexane (CID 21219366) is 1-tert-butyl-4-fluorocyclohexane.
What is the SMILES notation for 1-tert-butyl-4-fluorocyclohexane?
The canonical SMILES for 1-tert-butyl-4-fluorocyclohexane is CC(C)(C)C1CCC(F)CC1.
What is the InChIKey of 1-tert-butyl-4-fluorocyclohexane?
The InChIKey is NUUSHJVWWBOOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F/c1-10(2,3)8-4-6-9(11)7-5-8/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-fluorocyclohexane?
1-tert-butyl-4-fluorocyclohexane has a molecular weight of 158.26 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-fluorocyclohexane is sourced from PubChem (CID 21219366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).