(2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol

C14H15FO — CID 138970180

IUPAC(2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol
SMILESO[C@H]1CC=C2c3cc(F)ccc3CC[C@H]2C1
InChIInChI=1S/C14H15FO/c15-11-4-3-9-1-2-10-7-12(16)5-6-13(10)14(9)8-11/h3-4,6,8,10,12,16H,1-2,5,7H2/t10-,12-/m0/s1
InChIKeyVDYSJWWXNVZDJQ-JQWIXIFHSA-N
MW218.27 g/mol
LogP2.93
Rot. Bonds

About (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol

(2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol (PubChem CID 138970180) has the molecular formula C14H15FO and a molecular weight of 218.27 g/mol. Its IUPAC name is (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol.

Molecular Properties

Compound Name(2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol
PubChem CID138970180
Molecular FormulaC14H15FO
Molecular Weight218.27 g/mol
Exact Mass218.11
IUPAC Name(2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol
SMILESO[C@H]1CC=C2c3cc(F)ccc3CC[C@H]2C1
InChIInChI=1S/C14H15FO/c15-11-4-3-9-1-2-10-7-12(16)5-6-13(10)14(9)8-11/h3-4,6,8,10,12,16H,1-2,5,7H2/t10-,12-/m0/s1
InChIKeyVDYSJWWXNVZDJQ-JQWIXIFHSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol?
The IUPAC name of (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol (CID 138970180) is (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol.
What is the SMILES notation for (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol?
The canonical SMILES for (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol is O[C@H]1CC=C2c3cc(F)ccc3CC[C@H]2C1.
What is the InChIKey of (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol?
The InChIKey is VDYSJWWXNVZDJQ-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H15FO/c15-11-4-3-9-1-2-10-7-12(16)5-6-13(10)14(9)8-11/h3-4,6,8,10,12,16H,1-2,5,7H2/t10-,12-/m0/s1.
What are the key properties of (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol?
(2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol has a molecular weight of 218.27 g/mol, XLogP of 2.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,10aS)-6-fluoro-1,2,3,9,10,10a-hexahydrophenanthren-2-ol is sourced from PubChem (CID 138970180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).