2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid

C11H19FO2 — CID 81358386

IUPAC2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid
SMILESCC1(C)CCCC(C(F)C(=O)O)CC1
InChIInChI=1S/C11H19FO2/c1-11(2)6-3-4-8(5-7-11)9(12)10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyKYECKIQHRPUYML-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.02
Rot. Bonds2

About 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid

2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid (PubChem CID 81358386) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid
PubChem CID81358386
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid
SMILESCC1(C)CCCC(C(F)C(=O)O)CC1
InChIInChI=1S/C11H19FO2/c1-11(2)6-3-4-8(5-7-11)9(12)10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyKYECKIQHRPUYML-UHFFFAOYSA-N
XLogP3.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid?
The IUPAC name of 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid (CID 81358386) is 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid?
The canonical SMILES for 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid is CC1(C)CCCC(C(F)C(=O)O)CC1.
What is the InChIKey of 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid?
The InChIKey is KYECKIQHRPUYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-11(2)6-3-4-8(5-7-11)9(12)10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid?
2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid has a molecular weight of 202.27 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcycloheptyl)-2-fluoroacetic acid is sourced from PubChem (CID 81358386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).