1-tert-butyl-1-fluorocyclohexane

C10H19F — CID 13144920

IUPAC1-tert-butyl-1-fluorocyclohexane
SMILESCC(C)(C)C1(F)CCCCC1
InChIInChI=1S/C10H19F/c1-9(2,3)10(11)7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyRNYRJQVZJWYYPX-UHFFFAOYSA-N
MW158.26 g/mol
LogP3.70
Rot. Bonds

About 1-tert-butyl-1-fluorocyclohexane

1-tert-butyl-1-fluorocyclohexane (PubChem CID 13144920) has the molecular formula C10H19F and a molecular weight of 158.26 g/mol. Its IUPAC name is 1-tert-butyl-1-fluorocyclohexane.

Molecular Properties

Compound Name1-tert-butyl-1-fluorocyclohexane
PubChem CID13144920
Molecular FormulaC10H19F
Molecular Weight158.26 g/mol
Exact Mass158.15
IUPAC Name1-tert-butyl-1-fluorocyclohexane
SMILESCC(C)(C)C1(F)CCCCC1
InChIInChI=1S/C10H19F/c1-9(2,3)10(11)7-5-4-6-8-10/h4-8H2,1-3H3
InChIKeyRNYRJQVZJWYYPX-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-1-fluorocyclohexane?
The IUPAC name of 1-tert-butyl-1-fluorocyclohexane (CID 13144920) is 1-tert-butyl-1-fluorocyclohexane.
What is the SMILES notation for 1-tert-butyl-1-fluorocyclohexane?
The canonical SMILES for 1-tert-butyl-1-fluorocyclohexane is CC(C)(C)C1(F)CCCCC1.
What is the InChIKey of 1-tert-butyl-1-fluorocyclohexane?
The InChIKey is RNYRJQVZJWYYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F/c1-9(2,3)10(11)7-5-4-6-8-10/h4-8H2,1-3H3.
What are the key properties of 1-tert-butyl-1-fluorocyclohexane?
1-tert-butyl-1-fluorocyclohexane has a molecular weight of 158.26 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-1-fluorocyclohexane is sourced from PubChem (CID 13144920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).