2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid

C10H14FNO2 — CID 90702386

IUPAC2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid
SMILESCN(C)C(C(=O)O)C1=CC(F)=CCC1
InChIInChI=1S/C10H14FNO2/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyHTRSREPBSZDQIO-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.57
Rot. Bonds3

About 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid

2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid (PubChem CID 90702386) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid
PubChem CID90702386
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid
SMILESCN(C)C(C(=O)O)C1=CC(F)=CCC1
InChIInChI=1S/C10H14FNO2/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7/h5-6,9H,3-4H2,1-2H3,(H,13,14)
InChIKeyHTRSREPBSZDQIO-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid (CID 90702386) is 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid is CN(C)C(C(=O)O)C1=CC(F)=CCC1.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid?
The InChIKey is HTRSREPBSZDQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-12(2)9(10(13)14)7-4-3-5-8(11)6-7/h5-6,9H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid?
2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid has a molecular weight of 199.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorocyclohexa-1,3-dien-1-yl)acetic acid is sourced from PubChem (CID 90702386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).