[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate

C10H11F6NO3 — CID 91697605

IUPAC[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCC(OC(=O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H11F6NO3/c11-9(12,13)7(18)17-5-1-3-6(4-2-5)20-8(19)10(14,15)16/h5-6H,1-4H2,(H,17,18)
InChIKeyPBWCNWLMSKSVOJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.08
Rot. Bonds2

About [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate

[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate (PubChem CID 91697605) has the molecular formula C10H11F6NO3 and a molecular weight of 307.19 g/mol. Its IUPAC name is [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate
PubChem CID91697605
Molecular FormulaC10H11F6NO3
Molecular Weight307.19 g/mol
Exact Mass307.06
IUPAC Name[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate
SMILESO=C(NC1CCC(OC(=O)C(F)(F)F)CC1)C(F)(F)F
InChIInChI=1S/C10H11F6NO3/c11-9(12,13)7(18)17-5-1-3-6(4-2-5)20-8(19)10(14,15)16/h5-6H,1-4H2,(H,17,18)
InChIKeyPBWCNWLMSKSVOJ-UHFFFAOYSA-N
XLogP2.08
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-Amino-1-hexanol, N,O-bis(trifluoroacetyl)-
CID 91712826
6-Amino-1-hexanol, N,O-bis(pentafluoropropionyl)-
CID 91726879
trans-4-(2,2,2-Trifluoro-N-(2,2,2-trifluoroacetyl)acetamido)cyclohexyl 2,2,2-trifluoroacetate
CID 91697598
trans-4-(2,2,3,3,4,4,4-Heptafluorobutanamido)cyclohexyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91697600
trans-4-(2,2,3,3,3-Pentafluoropropanamido)cyclohexyl 2,2,3,3,3-pentafluoropropanoate
CID 91697604
trans-4-[2,2,3,3,3-Pentafluoro-N-(2,2,3,3,3-pentafluoropropanoyl)propanamido]cyclohexyl 2,2,3,3,3-pentafluoropropanoate
CID 91697674
[4-(2,2,2-Trifluoroethoxy)cyclohexyl]carbamic acid
CID 71238192
N-[4-(trifluoromethoxy)cyclohexyl]acetamide
CID 126663694
[4-(2,2-Difluoroethoxy)cyclohexyl]carbamic acid
CID 134588523
[(2S,3R,4R,5S)-5-fluoro-2-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl] acetate
CID 173276463
[(2R,3S,4S,5S)-5-fluoro-2-methyl-3-[(2,2,2-trifluoroacetyl)amino]oxan-4-yl] acetate
CID 173276465
[4-[(2,2,2-Trifluoroacetyl)amino]cyclohexyl] carbamate
CID 175189061

Frequently Asked Questions

What is the IUPAC name of [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate?
The IUPAC name of [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate (CID 91697605) is [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate is O=C(NC1CCC(OC(=O)C(F)(F)F)CC1)C(F)(F)F.
What is the InChIKey of [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate?
The InChIKey is PBWCNWLMSKSVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6NO3/c11-9(12,13)7(18)17-5-1-3-6(4-2-5)20-8(19)10(14,15)16/h5-6H,1-4H2,(H,17,18).
What are the key properties of [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate?
[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate has a molecular weight of 307.19 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 91697605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).