N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide

C11H18FNO2 — CID 166415805

IUPACN-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(F)CCC(CO)CC1
InChIInChI=1S/C11H18FNO2/c1-2-10(15)13-8-11(12)5-3-9(7-14)4-6-11/h2,9,14H,1,3-8H2,(H,13,15)
InChIKeyKKGPSDQNRWIBRK-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.18
Rot. Bonds4

About N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide

N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide (PubChem CID 166415805) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide
PubChem CID166415805
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC NameN-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(F)CCC(CO)CC1
InChIInChI=1S/C11H18FNO2/c1-2-10(15)13-8-11(12)5-3-9(7-14)4-6-11/h2,9,14H,1,3-8H2,(H,13,15)
InChIKeyKKGPSDQNRWIBRK-UHFFFAOYSA-N
XLogP1.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-1-hydroxyhexyl)prop-2-enamide
CID 53742378
N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
CID 57165167
N-[cyclohexyl(hydroxy)methyl]prop-2-enamide
CID 57207011
N-[(4-hydroxycyclohexyl)methyl]prop-2-enamide
CID 106124120
N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide
CID 121383948
N-[(2-hydroxycyclohexyl)methyl]prop-2-enamide
CID 64928923
N-[[2-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide
CID 65904692
N-[[1-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide
CID 103966031
N-[2-(2-hydroxyethyl)pentyl]prop-2-enamide
CID 106114961
N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 107363202
4-(hydroxymethyl)-N-prop-2-enylcyclohexane-1-carboxamide
CID 117562623
N-[7-(hydroxymethyl)spiro[3.5]nonan-2-yl]prop-2-enamide
CID 146094319

Frequently Asked Questions

What is the IUPAC name of N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide?
The IUPAC name of N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide (CID 166415805) is N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide is C=CC(=O)NCC1(F)CCC(CO)CC1.
What is the InChIKey of N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide?
The InChIKey is KKGPSDQNRWIBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2/c1-2-10(15)13-8-11(12)5-3-9(7-14)4-6-11/h2,9,14H,1,3-8H2,(H,13,15).
What are the key properties of N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide?
N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide has a molecular weight of 215.27 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-fluoro-4-(hydroxymethyl)cyclohexyl]methyl]prop-2-enamide is sourced from PubChem (CID 166415805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).