3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol

C16H26FNOS — CID 143954874

IUPAC3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESNCCC(O)C1C=C(F)C=C(SCC2CCCCC2)C1
InChIInChI=1S/C16H26FNOS/c17-14-8-13(16(19)6-7-18)9-15(10-14)20-11-12-4-2-1-3-5-12/h8,10,12-13,16,19H,1-7,9,11,18H2
InChIKeyUJSURUNZSRNNHZ-UHFFFAOYSA-N
MW299.45 g/mol
LogP3.77
Rot. Bonds6

About 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol

3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol (PubChem CID 143954874) has the molecular formula C16H26FNOS and a molecular weight of 299.45 g/mol. Its IUPAC name is 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol
PubChem CID143954874
Molecular FormulaC16H26FNOS
Molecular Weight299.45 g/mol
Exact Mass299.17
IUPAC Name3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol
SMILESNCCC(O)C1C=C(F)C=C(SCC2CCCCC2)C1
InChIInChI=1S/C16H26FNOS/c17-14-8-13(16(19)6-7-18)9-15(10-14)20-11-12-4-2-1-3-5-12/h8,10,12-13,16,19H,1-7,9,11,18H2
InChIKeyUJSURUNZSRNNHZ-UHFFFAOYSA-N
XLogP3.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol with MolForge

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Related Compounds

3-Amino-1-[3-(cyclohexylmethylsulfinyl)-6-fluorocyclohepta-1,3,5-trien-1-yl]propan-1-ol
CID 143954770
3-Amino-1-[3-(cyclohexylmethylsulfanyl)-6-fluorocyclohepta-1,6-dien-1-yl]propan-1-ol
CID 143954800
1-Amino-6-(3-cyclohexylpropylsulfanyl)nona-5,7-dien-3-ol
CID 90825005
3-Amino-1-(3-butylsulfanylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 90922029
(3E,5E)-8-amino-5-[2-(cyclohexylmethylsulfanyl)ethylidene]octa-1,3-diene-3,6-diol
CID 143954773
1-[[3-(3-Amino-1-hydroxypropyl)cyclohepta-1,4,6-trien-1-yl]sulfanylmethyl]cyclohexan-1-ol
CID 143954779
3-Amino-1-[3-(cyclohexylmethylsulfanyl)-6-fluorocyclohepta-1,6-dien-1-yl]propan-1-ol;ethane
CID 143954799
(Z,4E)-1-amino-4-[2-(cyclohexylmethylsulfanyl)ethylidene]-2-methylhept-5-en-3-ol
CID 143954876

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol?
The IUPAC name of 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol (CID 143954874) is 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol?
The canonical SMILES for 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol is NCCC(O)C1C=C(F)C=C(SCC2CCCCC2)C1.
What is the InChIKey of 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol?
The InChIKey is UJSURUNZSRNNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FNOS/c17-14-8-13(16(19)6-7-18)9-15(10-14)20-11-12-4-2-1-3-5-12/h8,10,12-13,16,19H,1-7,9,11,18H2.
What are the key properties of 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol?
3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol has a molecular weight of 299.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[5-(cyclohexylmethylsulfanyl)-3-fluorocyclohexa-2,4-dien-1-yl]propan-1-ol is sourced from PubChem (CID 143954874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).