4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane

C17H27FO — CID 91014732

IUPAC4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCC(C)(F)COC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C17H27FO/c1-3-17(2,18)9-19-14-8-12-7-13(14)16-11-5-4-10(6-11)15(12)16/h10-16H,3-9H2,1-2H3
InChIKeyMZZDEOQDYDHXJL-UHFFFAOYSA-N
MW266.40 g/mol
LogP4.21
Rot. Bonds4

About 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane

4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane (PubChem CID 91014732) has the molecular formula C17H27FO and a molecular weight of 266.40 g/mol. Its IUPAC name is 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane.

Molecular Properties

Compound Name4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane
PubChem CID91014732
Molecular FormulaC17H27FO
Molecular Weight266.40 g/mol
Exact Mass266.20
IUPAC Name4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane
SMILESCCC(C)(F)COC1CC2CC1C1C3CCC(C3)C21
InChIInChI=1S/C17H27FO/c1-3-17(2,18)9-19-14-8-12-7-13(14)16-11-5-4-10(6-11)15(12)16/h10-16H,3-9H2,1-2H3
InChIKeyMZZDEOQDYDHXJL-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

Analyze 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methoxymethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-dimethylbutanoate
CID 158143407
4-(2-fluoro-2-methylpropyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91325104
bis(3-methyl-3-(trifluoromethyl)pentane);2-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propoxy]bicyclo[2.2.1]heptane;4-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane
CID 91611712
4-(1,1,1,2,3,3-hexafluorobutan-2-yl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 89368912
4-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)tetracyclo[6.2.1.13,6.02,7]dodecane
CID 565737
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2,2-difluoroacetate
CID 58225942
4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-hydroxyacetate
CID 67964667
4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethyl 2,2-dimethylbutanoate
CID 118041802
propane;1-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl acetate
CID 143448489
ethanol;4-tetracyclo[6.2.1.13,6.02,7]dodecanylmethanol
CID 159961877
3,5-diethyl-2-(4-tetracyclo[6.2.1.13,6.02,7]dodecanyloxycarbonyl)cyclopentane-1-carboxylic acid
CID 54219643
5-ethoxy-8-methyltricyclo[4.3.1.03,10]decane
CID 147357384

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane?
The IUPAC name of 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane (CID 91014732) is 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane.
What is the SMILES notation for 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane?
The canonical SMILES for 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane is CCC(C)(F)COC1CC2CC1C1C3CCC(C3)C21.
What is the InChIKey of 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane?
The InChIKey is MZZDEOQDYDHXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO/c1-3-17(2,18)9-19-14-8-12-7-13(14)16-11-5-4-10(6-11)15(12)16/h10-16H,3-9H2,1-2H3.
What are the key properties of 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane?
4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane has a molecular weight of 266.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-2-methylbutoxy)tetracyclo[6.2.1.13,6.02,7]dodecane is sourced from PubChem (CID 91014732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).