7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride

C10H13FO — CID 45081420

IUPAC7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride
SMILESCC1(C)C2CC3C(C2)C31C(=O)F
InChIInChI=1S/C10H13FO/c1-9(2)5-3-6-7(4-5)10(6,9)8(11)12/h5-7H,3-4H2,1-2H3
InChIKeyVENOPFUEOLTHDE-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.16
Rot. Bonds1

About 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride

7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride (PubChem CID 45081420) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride.

Molecular Properties

Compound Name7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride
PubChem CID45081420
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride
SMILESCC1(C)C2CC3C(C2)C31C(=O)F
InChIInChI=1S/C10H13FO/c1-9(2)5-3-6-7(4-5)10(6,9)8(11)12/h5-7H,3-4H2,1-2H3
InChIKeyVENOPFUEOLTHDE-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride?
The IUPAC name of 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride (CID 45081420) is 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride.
What is the SMILES notation for 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride?
The canonical SMILES for 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride is CC1(C)C2CC3C(C2)C31C(=O)F.
What is the InChIKey of 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride?
The InChIKey is VENOPFUEOLTHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-9(2)5-3-6-7(4-5)10(6,9)8(11)12/h5-7H,3-4H2,1-2H3.
What are the key properties of 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride?
7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride has a molecular weight of 168.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyltricyclo[2.2.1.02,6]heptane-1-carbonyl fluoride is sourced from PubChem (CID 45081420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).