methyl 2-amino-2-(1-fluorocyclohexyl)acetate

C9H16FNO2 — CID 13204388

IUPACmethyl 2-amino-2-(1-fluorocyclohexyl)acetate
SMILESCOC(=O)C(N)C1(F)CCCCC1
InChIInChI=1S/C9H16FNO2/c1-13-8(12)7(11)9(10)5-3-2-4-6-9/h7H,2-6,11H2,1H3
InChIKeyALRMFCAWBQNCIO-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.16
Rot. Bonds2

About methyl 2-amino-2-(1-fluorocyclohexyl)acetate

methyl 2-amino-2-(1-fluorocyclohexyl)acetate (PubChem CID 13204388) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is methyl 2-amino-2-(1-fluorocyclohexyl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(1-fluorocyclohexyl)acetate
PubChem CID13204388
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Namemethyl 2-amino-2-(1-fluorocyclohexyl)acetate
SMILESCOC(=O)C(N)C1(F)CCCCC1
InChIInChI=1S/C9H16FNO2/c1-13-8(12)7(11)9(10)5-3-2-4-6-9/h7H,2-6,11H2,1H3
InChIKeyALRMFCAWBQNCIO-UHFFFAOYSA-N
XLogP1.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1-fluorocyclohexyl)acetate?
The IUPAC name of methyl 2-amino-2-(1-fluorocyclohexyl)acetate (CID 13204388) is methyl 2-amino-2-(1-fluorocyclohexyl)acetate.
What is the SMILES notation for methyl 2-amino-2-(1-fluorocyclohexyl)acetate?
The canonical SMILES for methyl 2-amino-2-(1-fluorocyclohexyl)acetate is COC(=O)C(N)C1(F)CCCCC1.
What is the InChIKey of methyl 2-amino-2-(1-fluorocyclohexyl)acetate?
The InChIKey is ALRMFCAWBQNCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-13-8(12)7(11)9(10)5-3-2-4-6-9/h7H,2-6,11H2,1H3.
What are the key properties of methyl 2-amino-2-(1-fluorocyclohexyl)acetate?
methyl 2-amino-2-(1-fluorocyclohexyl)acetate has a molecular weight of 189.23 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(1-fluorocyclohexyl)acetate is sourced from PubChem (CID 13204388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).