(4-tert-butylcyclohexyl) carbonofluoridate

C11H19FO2 — CID 101175862

IUPAC(4-tert-butylcyclohexyl) carbonofluoridate
SMILESCC(C)(C)C1CCC(OC(=O)F)CC1
InChIInChI=1S/C11H19FO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3
InChIKeyZRWKTIKKTSIMEO-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.70
Rot. Bonds1

About (4-tert-butylcyclohexyl) carbonofluoridate

(4-tert-butylcyclohexyl) carbonofluoridate (PubChem CID 101175862) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl) carbonofluoridate.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl) carbonofluoridate
PubChem CID101175862
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name(4-tert-butylcyclohexyl) carbonofluoridate
SMILESCC(C)(C)C1CCC(OC(=O)F)CC1
InChIInChI=1S/C11H19FO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3
InChIKeyZRWKTIKKTSIMEO-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

4-tert-Butylcyclohexyl acetate
CID 36081
4-tert-Butylcyclohexyl chloroformate
CID 170608
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-formate
CID 95173
Cyclohexanol, 4-(1,1-dimethylethyl)-, 1-propanoate
CID 82610
1-Tert-butyl-4-methoxycyclohexane
CID 139997
Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-acetate
CID 79507
1-Tert-butyl-4-(trifluoromethoxy)cyclohexane
CID 138972410
Cyclohexanol, 4-(1-methylethyl)-, acetate, cis-
CID 228303
Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-formate
CID 105900
Cyclohexanol, 4-(1,1-dimethylpropyl)-, 1-propanoate
CID 105901
(3-Methyl-3-propan-2-ylcyclohexyl) formate
CID 21280325
4-tert-Butylcyclohexyl isobutyrate
CID 79542

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl) carbonofluoridate?
The IUPAC name of (4-tert-butylcyclohexyl) carbonofluoridate (CID 101175862) is (4-tert-butylcyclohexyl) carbonofluoridate.
What is the SMILES notation for (4-tert-butylcyclohexyl) carbonofluoridate?
The canonical SMILES for (4-tert-butylcyclohexyl) carbonofluoridate is CC(C)(C)C1CCC(OC(=O)F)CC1.
What is the InChIKey of (4-tert-butylcyclohexyl) carbonofluoridate?
The InChIKey is ZRWKTIKKTSIMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h8-9H,4-7H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexyl) carbonofluoridate?
(4-tert-butylcyclohexyl) carbonofluoridate has a molecular weight of 202.27 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl) carbonofluoridate is sourced from PubChem (CID 101175862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).