2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide

C9H16FNO2 — CID 152520169

IUPAC2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CF)C1CCC(O)CC1
InChIInChI=1S/C9H16FNO2/c1-11(9(13)6-10)7-2-4-8(12)5-3-7/h7-8,12H,2-6H2,1H3
InChIKeyYHIXJCCRSCPVFF-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.72
Rot. Bonds2

About 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide

2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide (PubChem CID 152520169) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
PubChem CID152520169
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
SMILESCN(C(=O)CF)C1CCC(O)CC1
InChIInChI=1S/C9H16FNO2/c1-11(9(13)6-10)7-2-4-8(12)5-3-7/h7-8,12H,2-6H2,1H3
InChIKeyYHIXJCCRSCPVFF-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Hydroxycyclohexyl)pyrrolidin-2-one
CID 59299306
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 21846889
2,2,2-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylacetamide
CID 53643997
2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
CID 58468184
2,2,2-trifluoro-N-(4-methoxycyclohexyl)-N-methylacetamide
CID 58896631
tert-butyl-[(1R,2S,4S)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 67035009
tert-butyl-[(1S,2S,4R)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 67035631
Tert-butyl-(2-fluoro-4-hydroxycyclohexyl)carbamic acid
CID 67954959
2-fluoro-N-(4-hydroxycyclohexyl)acetamide
CID 69109487
N-fluoro-N-(4-hydroxycyclohexyl)acetamide
CID 87697468
tert-butyl-[(1S,2R,4S)-2-fluoro-4-hydroxycyclohexyl]carbamic acid
CID 123540963
3,3,3-trifluoro-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 102634587

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide?
The IUPAC name of 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide (CID 152520169) is 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide is CN(C(=O)CF)C1CCC(O)CC1.
What is the InChIKey of 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide?
The InChIKey is YHIXJCCRSCPVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-11(9(13)6-10)7-2-4-8(12)5-3-7/h7-8,12H,2-6H2,1H3.
What are the key properties of 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide?
2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide has a molecular weight of 189.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide is sourced from PubChem (CID 152520169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).