4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid

C10H18FNO2 — CID 105455444

IUPAC4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid
SMILESCCNCC1(F)CCC(C(=O)O)CC1
InChIInChI=1S/C10H18FNO2/c1-2-12-7-10(11)5-3-8(4-6-10)9(13)14/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyIYDVVYPCMGRDMR-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.58
Rot. Bonds4

About 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid

4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid (PubChem CID 105455444) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid
PubChem CID105455444
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid
SMILESCCNCC1(F)CCC(C(=O)O)CC1
InChIInChI=1S/C10H18FNO2/c1-2-12-7-10(11)5-3-8(4-6-10)9(13)14/h8,12H,2-7H2,1H3,(H,13,14)
InChIKeyIYDVVYPCMGRDMR-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid?
The IUPAC name of 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid (CID 105455444) is 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid is CCNCC1(F)CCC(C(=O)O)CC1.
What is the InChIKey of 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid?
The InChIKey is IYDVVYPCMGRDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-2-12-7-10(11)5-3-8(4-6-10)9(13)14/h8,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid?
4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid has a molecular weight of 203.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylaminomethyl)-4-fluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 105455444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).