(1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol

C16H26FNO — CID 166556145

IUPAC(1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol
SMILESCNC1(C2/C=C\CC/C(F)=C\CC2)CCCC[C@@H]1O
InChIInChI=1S/C16H26FNO/c1-18-16(12-5-4-11-15(16)19)13-7-2-3-9-14(17)10-6-8-13/h2,7,10,13,15,18-19H,3-6,8-9,11-12H2,1H3/b7-2-,14-10+/t13?,15-,16?/m0/s1
InChIKeyYWSKNTNPILVCHH-FOBCPRASSA-N
MW267.39 g/mol
LogP3.48
Rot. Bonds2

About (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol

(1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol (PubChem CID 166556145) has the molecular formula C16H26FNO and a molecular weight of 267.39 g/mol. Its IUPAC name is (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol
PubChem CID166556145
Molecular FormulaC16H26FNO
Molecular Weight267.39 g/mol
Exact Mass267.20
IUPAC Name(1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol
SMILESCNC1(C2/C=C\CC/C(F)=C\CC2)CCCC[C@@H]1O
InChIInChI=1S/C16H26FNO/c1-18-16(12-5-4-11-15(16)19)13-7-2-3-9-14(17)10-6-8-13/h2,7,10,13,15,18-19H,3-6,8-9,11-12H2,1H3/b7-2-,14-10+/t13?,15-,16?/m0/s1
InChIKeyYWSKNTNPILVCHH-FOBCPRASSA-N
XLogP3.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol with MolForge

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Related Compounds

3-Ethyl-2-icos-11-en-3-yl-2-(methylamino)icos-11-en-1-ol
CID 57269663
2-methoxy-N-methyl-1-[(1S)-6-methylcyclohex-2-en-1-yl]cyclohexan-1-amine
CID 71181943
(Z)-3-ethyl-2-[(Z)-icos-11-en-3-yl]-2-(methylamino)icos-11-en-1-ol
CID 88025530

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol?
The IUPAC name of (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol (CID 166556145) is (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol.
What is the SMILES notation for (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol?
The canonical SMILES for (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol is CNC1(C2/C=C\CC/C(F)=C\CC2)CCCC[C@@H]1O.
What is the InChIKey of (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol?
The InChIKey is YWSKNTNPILVCHH-FOBCPRASSA-N. The full InChI is InChI=1S/C16H26FNO/c1-18-16(12-5-4-11-15(16)19)13-7-2-3-9-14(17)10-6-8-13/h2,7,10,13,15,18-19H,3-6,8-9,11-12H2,1H3/b7-2-,14-10+/t13?,15-,16?/m0/s1.
What are the key properties of (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol?
(1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol has a molecular weight of 267.39 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(2Z,6E)-6-fluorocyclonona-2,6-dien-1-yl]-2-(methylamino)cyclohexan-1-ol is sourced from PubChem (CID 166556145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).