(4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride

C11H20ClF2NO2 — CID 162724768

IUPAC(4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)(N)C(=O)OCC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C11H19F2NO2.ClH/c1-10(2,14)9(15)16-7-8-3-5-11(12,13)6-4-8;/h8H,3-7,14H2,1-2H3;1H
InChIKeyBXFOPHYMHWFVDM-UHFFFAOYSA-N
MW271.73 g/mol
LogP2.51
Rot. Bonds3

About (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride

(4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride (PubChem CID 162724768) has the molecular formula C11H20ClF2NO2 and a molecular weight of 271.73 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride
PubChem CID162724768
Molecular FormulaC11H20ClF2NO2
Molecular Weight271.73 g/mol
Exact Mass271.12
IUPAC Name(4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride
SMILESCC(C)(N)C(=O)OCC1CCC(F)(F)CC1.Cl
InChIInChI=1S/C11H19F2NO2.ClH/c1-10(2,14)9(15)16-7-8-3-5-11(12,13)6-4-8;/h8H,3-7,14H2,1-2H3;1H
InChIKeyBXFOPHYMHWFVDM-UHFFFAOYSA-N
XLogP2.51
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate;hydrochloride
CID 22561613
(4,4-Difluorocyclohexyl)methyl 2-(chloroamino)-2-methylpropanoate
CID 162724619
(2,2-Difluorospiro[3.3]heptan-6-yl)methyl 2-amino-2-methylpropanoate;hydrochloride
CID 162724729
[4-(Trifluoromethyl)cyclohexyl] 2-amino-2-methylpropanoate;hydrochloride
CID 162724745
[(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium
CID 166023241
[4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate
CID 166023242
[(2S)-1-oxo-1-[[4-(trifluoromethyl)cyclohexyl]methoxy]propan-2-yl]azanium chloride
CID 167633296
[4-(Trifluoromethyl)cyclohexyl]methyl 2-aminopropanoate;hydrochloride
CID 175306117
[4-(trifluoromethyl)cyclohexyl]methyl (2S)-2-aminopropanoate;hydrochloride
CID 175824560
Ethyl 1-amino-4,4-difluorocyclohexanecarboxylate hydrochloride
CID 72218524
Ethyl 1-amino-4,4-difluorocyclohexane-1-carboxylate
CID 72218525
(2-Ethylcyclohexyl) 2-amino-3,3,3-trifluoro-2-methylpropanoate
CID 79797905

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride?
The IUPAC name of (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride (CID 162724768) is (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride.
What is the SMILES notation for (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride?
The canonical SMILES for (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride is CC(C)(N)C(=O)OCC1CCC(F)(F)CC1.Cl.
What is the InChIKey of (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride?
The InChIKey is BXFOPHYMHWFVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2.ClH/c1-10(2,14)9(15)16-7-8-3-5-11(12,13)6-4-8;/h8H,3-7,14H2,1-2H3;1H.
What are the key properties of (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride?
(4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride has a molecular weight of 271.73 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)methyl 2-amino-2-methylpropanoate;hydrochloride is sourced from PubChem (CID 162724768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).