2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide

C9H14F3NO2 — CID 65110343

IUPAC2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(NCC1(O)CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7(14)13-6-8(15)4-2-1-3-5-8/h15H,1-6H2,(H,13,14)
InChIKeyVVHVULDYRYSCJP-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.36
Rot. Bonds2

About 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide

2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide (PubChem CID 65110343) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide
PubChem CID65110343
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide
SMILESO=C(NCC1(O)CCCCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7(14)13-6-8(15)4-2-1-3-5-8/h15H,1-6H2,(H,13,14)
InChIKeyVVHVULDYRYSCJP-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide (CID 65110343) is 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide is O=C(NCC1(O)CCCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide?
The InChIKey is VVHVULDYRYSCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)7(14)13-6-8(15)4-2-1-3-5-8/h15H,1-6H2,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide?
2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide has a molecular weight of 225.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide is sourced from PubChem (CID 65110343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).