methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate

C11H16F3NO3 — CID 139798672

IUPACmethyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C11H16F3NO3/c1-18-9(17)10(5-3-2-4-6-10)7-15-8(16)11(12,13)14/h2-7H2,1H3,(H,15,16)
InChIKeyHPWMADNWIAPCKD-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.79
Rot. Bonds3

About methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate

methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 139798672) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID139798672
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Namemethyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C11H16F3NO3/c1-18-9(17)10(5-3-2-4-6-10)7-15-8(16)11(12,13)14/h2-7H2,1H3,(H,15,16)
InChIKeyHPWMADNWIAPCKD-UHFFFAOYSA-N
XLogP1.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 1-(aminomethyl)-4,4-difluorocyclohexane-1-carboxylate hydrochloride
CID 177699611
Methyl 2,4,4-trimethyl-7-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 132600122
Methyl 2-methyl-3-[1-[3-[(2,2,2-trifluoroacetyl)amino]propyl]cyclopentyl]propanoate
CID 134849546
Ethyl 4,4-dimethyl-7-[(2,2,2-trifluoroacetyl)amino]heptanoate
CID 134861886
1-(Acetamidomethyl)cyclohexane-1-carboxylic acid
CID 23028381
Methyl 1-[(cyclobutanecarbonylamino)methyl]cyclohexane-1-carboxylate
CID 75520660
Methyl 1-[[(4,4-difluorocyclohexanecarbonyl)amino]methyl]cyclohexane-1-carboxylate
CID 86788432
Methyl trans-4-[(2,2,3,3,4,4,4-heptafluorobutanamido)methyl]cyclohexanecarboxylate
CID 91697682
Methyl trans-4-[(2,2,2-trifluoroacetamido)methyl]cyclohexanecarboxylate
CID 91697683
Methyl 2-[1-(acetamidomethyl)cyclohexyl]-2-fluoroacetate
CID 90331995
methyl (2R)-2-(4,4-difluorocyclohexyl)-3-(methoxycarbonylamino)propanoate
CID 144097400
Methyl 2-(4,4-difluorocyclohexyl)-3-(methoxycarbonylamino)propanoate
CID 162558038

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate (CID 139798672) is methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1(CNC(=O)C(F)(F)F)CCCCC1.
What is the InChIKey of methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is HPWMADNWIAPCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-18-9(17)10(5-3-2-4-6-10)7-15-8(16)11(12,13)14/h2-7H2,1H3,(H,15,16).
What are the key properties of methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 267.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[(2,2,2-trifluoroacetyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 139798672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).