N-fluoro-N-(4-hydroxycyclohexyl)acetamide

C8H14FNO2 — CID 87697468

IUPACN-fluoro-N-(4-hydroxycyclohexyl)acetamide
SMILESCC(=O)N(F)C1CCC(O)CC1
InChIInChI=1S/C8H14FNO2/c1-6(11)10(9)7-2-4-8(12)5-3-7/h7-8,12H,2-5H2,1H3
InChIKeyCUEXXDQMHNBSBP-UHFFFAOYSA-N
MW175.20 g/mol
LogP1.02
Rot. Bonds1

About N-fluoro-N-(4-hydroxycyclohexyl)acetamide

N-fluoro-N-(4-hydroxycyclohexyl)acetamide (PubChem CID 87697468) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is N-fluoro-N-(4-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-fluoro-N-(4-hydroxycyclohexyl)acetamide
PubChem CID87697468
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC NameN-fluoro-N-(4-hydroxycyclohexyl)acetamide
SMILESCC(=O)N(F)C1CCC(O)CC1
InChIInChI=1S/C8H14FNO2/c1-6(11)10(9)7-2-4-8(12)5-3-7/h7-8,12H,2-5H2,1H3
InChIKeyCUEXXDQMHNBSBP-UHFFFAOYSA-N
XLogP1.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-(4-hydroxycyclohexyl)acetamide?
The IUPAC name of N-fluoro-N-(4-hydroxycyclohexyl)acetamide (CID 87697468) is N-fluoro-N-(4-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-fluoro-N-(4-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-fluoro-N-(4-hydroxycyclohexyl)acetamide is CC(=O)N(F)C1CCC(O)CC1.
What is the InChIKey of N-fluoro-N-(4-hydroxycyclohexyl)acetamide?
The InChIKey is CUEXXDQMHNBSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c1-6(11)10(9)7-2-4-8(12)5-3-7/h7-8,12H,2-5H2,1H3.
What are the key properties of N-fluoro-N-(4-hydroxycyclohexyl)acetamide?
N-fluoro-N-(4-hydroxycyclohexyl)acetamide has a molecular weight of 175.20 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-(4-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 87697468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).