cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol

C18H31FO2 — CID 166964780

IUPACcis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
SMILESC=C1C(C2CCCCCCCCC2)C[C@H](O)[C@]1(CO)CF
InChIInChI=1S/C18H31FO2/c1-14-16(11-17(21)18(14,12-19)13-20)15-9-7-5-3-2-4-6-8-10-15/h15-17,20-21H,1-13H2/t16?,17-,18-/m0/s1
InChIKeyRCYOPSOMTZTLNL-FQECFTEESA-N
MW298.44 g/mol
LogP4.01
Rot. Bonds3

About cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol

cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol (PubChem CID 166964780) has the molecular formula C18H31FO2 and a molecular weight of 298.44 g/mol. Its IUPAC name is cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
PubChem CID166964780
Molecular FormulaC18H31FO2
Molecular Weight298.44 g/mol
Exact Mass298.23
IUPAC Namecis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol
SMILESC=C1C(C2CCCCCCCCC2)C[C@H](O)[C@]1(CO)CF
InChIInChI=1S/C18H31FO2/c1-14-16(11-17(21)18(14,12-19)13-20)15-9-7-5-3-2-4-6-8-10-15/h15-17,20-21H,1-13H2/t16?,17-,18-/m0/s1
InChIKeyRCYOPSOMTZTLNL-FQECFTEESA-N
XLogP4.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The IUPAC name of cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol (CID 166964780) is cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol.
What is the SMILES notation for cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The canonical SMILES for cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol is C=C1C(C2CCCCCCCCC2)C[C@H](O)[C@]1(CO)CF.
What is the InChIKey of cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
The InChIKey is RCYOPSOMTZTLNL-FQECFTEESA-N. The full InChI is InChI=1S/C18H31FO2/c1-14-16(11-17(21)18(14,12-19)13-20)15-9-7-5-3-2-4-6-8-10-15/h15-17,20-21H,1-13H2/t16?,17-,18-/m0/s1.
What are the key properties of cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol?
cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol has a molecular weight of 298.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-4-cyclodecyl-2-(fluoromethyl)-2-(hydroxymethyl)-3-methylidenecyclopentan-1-ol is sourced from PubChem (CID 166964780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).