2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C12H20F3NO2 — CID 113252022

IUPAC2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCCCCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)10(17)8-16-11(18)7-9-5-3-1-2-4-6-9/h9-10,17H,1-8H2,(H,16,18)
InChIKeyVFKJQTNUGCEVBD-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.39
Rot. Bonds4

About 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 113252022) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID113252022
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCCCCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C12H20F3NO2/c13-12(14,15)10(17)8-16-11(18)7-9-5-3-1-2-4-6-9/h9-10,17H,1-8H2,(H,16,18)
InChIKeyVFKJQTNUGCEVBD-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cycloheptyl-N-[(2S)-2-hydroxypropyl]acetamide
CID 103884693
2-cyclopentyl-N-(2-hydroxypropyl)acetamide
CID 60654176
2-cyclohexyl-N-[2-(methylamino)propyl]acetamide
CID 103512587
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide
CID 103723234
2-cyclopentyl-N-(2,3-dihydroxypropyl)acetamide
CID 66175167
2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813092
2-cyclopentyl-N-[2-[(2-cyclopentylacetyl)amino]propyl]acetamide
CID 54786980
N-(2-amino-3-hydroxybutyl)-2-cyclohexylacetamide
CID 64542106
N-(2-chlorobutyl)-2-cycloheptylacetamide
CID 114459139
2-cyclopentyl-N-(2-hydroxy-4-methylpentyl)acetamide
CID 103770830
2-cyclopentyl-N-(4-hydroxy-2-methylpentyl)acetamide
CID 111447247
2-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55447256

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 113252022) is 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CC1CCCCCC1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is VFKJQTNUGCEVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c13-12(14,15)10(17)8-16-11(18)7-9-5-3-1-2-4-6-9/h9-10,17H,1-8H2,(H,16,18).
What are the key properties of 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 267.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 113252022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).