4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid

C9H16FNO2 — CID 146451362

IUPAC4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid
SMILESCN(C)C1CCC(C(=O)O)CC1F
InChIInChI=1S/C9H16FNO2/c1-11(2)8-4-3-6(9(12)13)5-7(8)10/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyYTRFRAMSIDMBSA-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.14
Rot. Bonds2

About 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid

4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid (PubChem CID 146451362) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid
PubChem CID146451362
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid
SMILESCN(C)C1CCC(C(=O)O)CC1F
InChIInChI=1S/C9H16FNO2/c1-11(2)8-4-3-6(9(12)13)5-7(8)10/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyYTRFRAMSIDMBSA-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid (CID 146451362) is 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid is CN(C)C1CCC(C(=O)O)CC1F.
What is the InChIKey of 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid?
The InChIKey is YTRFRAMSIDMBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-11(2)8-4-3-6(9(12)13)5-7(8)10/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid?
4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-fluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 146451362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).