(2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol

C18H17FO — CID 91580718

IUPAC(2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
SMILESC=CC[C@@H]1Cc2ccccc2[C@@H](O)c2ccc(F)cc21
InChIInChI=1S/C18H17FO/c1-2-5-12-10-13-6-3-4-7-15(13)18(20)16-9-8-14(19)11-17(12)16/h2-4,6-9,11-12,18,20H,1,5,10H2/t12-,18-/m1/s1
InChIKeyLGERDIPLSGCOOW-KZULUSFZSA-N
MW268.33 g/mol
LogP4.12
Rot. Bonds2

About (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol

(2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol (PubChem CID 91580718) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol.

Molecular Properties

Compound Name(2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
PubChem CID91580718
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Name(2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol
SMILESC=CC[C@@H]1Cc2ccccc2[C@@H](O)c2ccc(F)cc21
InChIInChI=1S/C18H17FO/c1-2-5-12-10-13-6-3-4-7-15(13)18(20)16-9-8-14(19)11-17(12)16/h2-4,6-9,11-12,18,20H,1,5,10H2/t12-,18-/m1/s1
InChIKeyLGERDIPLSGCOOW-KZULUSFZSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-6-prop-2-enyl-5,6-dihydrobenzo[b][1]benzothiepin-5-ol
CID 69322834
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pent-4-en-2-ol
CID 116659873
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
(1R)-1-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 138977422
2,2,6-trifluoro-1-prop-2-enyl-1,3-dihydroindene
CID 163265513
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,5-difluorophenyl)propan-2-ol
CID 66417614
2-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1H-inden-1-ol
CID 55050055
1-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-fluorobenzene-1,2-diamine
CID 66396180
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 105003660
5-fluoro-2-prop-2-enyl-2,3-dihydro-1H-indole
CID 119086663
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66416842

Frequently Asked Questions

What is the IUPAC name of (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
The IUPAC name of (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol (CID 91580718) is (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol.
What is the SMILES notation for (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
The canonical SMILES for (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol is C=CC[C@@H]1Cc2ccccc2[C@@H](O)c2ccc(F)cc21.
What is the InChIKey of (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
The InChIKey is LGERDIPLSGCOOW-KZULUSFZSA-N. The full InChI is InChI=1S/C18H17FO/c1-2-5-12-10-13-6-3-4-7-15(13)18(20)16-9-8-14(19)11-17(12)16/h2-4,6-9,11-12,18,20H,1,5,10H2/t12-,18-/m1/s1.
What are the key properties of (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol?
(2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol has a molecular weight of 268.33 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,9R)-6-fluoro-9-prop-2-enyltricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ol is sourced from PubChem (CID 91580718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).