(1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol

C12H10F4O — CID 23264814

IUPAC(1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol
SMILESO[C@H]1C[C@H]2C[C@@H]1Cc1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C12H10F4O/c13-9-6-2-4-1-5(3-7(4)17)8(6)10(14)12(16)11(9)15/h4-5,7,17H,1-3H2/t4-,5-,7+/m1/s1
InChIKeyKAOLMRXXPPPFMM-XAHCXIQSSA-N
MW246.20 g/mol
LogP2.65
Rot. Bonds

About (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol

(1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol (PubChem CID 23264814) has the molecular formula C12H10F4O and a molecular weight of 246.20 g/mol. Its IUPAC name is (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol.

Molecular Properties

Compound Name(1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol
PubChem CID23264814
Molecular FormulaC12H10F4O
Molecular Weight246.20 g/mol
Exact Mass246.07
IUPAC Name(1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol
SMILESO[C@H]1C[C@H]2C[C@@H]1Cc1c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C12H10F4O/c13-9-6-2-4-1-5(3-7(4)17)8(6)10(14)12(16)11(9)15/h4-5,7,17H,1-3H2/t4-,5-,7+/m1/s1
InChIKeyKAOLMRXXPPPFMM-XAHCXIQSSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,3,4,5,7-pentafluorobicyclo[4.2.0]octa-1(6),2,4-triene
CID 23262367
4,5,6,7-tetrafluoro-2,3-dihydro-1H-inden-1-ol
CID 130114805
(1S,9R,10R,11S)-5,6-difluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-10,11-diol
CID 15953498
3,4,5,6-tetrafluoro-11-phenyltricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-11-ol
CID 23267672
5,6,7,8-tetrafluoro-2,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-3-one
CID 23264794
(1S,2S)-5,6,7,8-tetrafluoro-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 57068240
(1S,8S,9S)-3,4,5,6-tetrafluorotricyclo[6.3.1.02,7]dodeca-2(7),3,5,10-tetraen-9-ol
CID 23264797
7,8-difluoro-6-(6-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 139864737
6-(6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7,8-difluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 139864953
7,8-difluoro-2-methyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865499
1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene
CID 162505404
(1R,8S,9S)-3,4,5,6-tetrafluoro-11-methyltricyclo[6.2.2.02,7]dodeca-2(7),3,5,11-tetraen-9-ol
CID 11885839

Frequently Asked Questions

What is the IUPAC name of (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol?
The IUPAC name of (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol (CID 23264814) is (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol.
What is the SMILES notation for (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol?
The canonical SMILES for (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol is O[C@H]1C[C@H]2C[C@@H]1Cc1c(F)c(F)c(F)c(F)c12.
What is the InChIKey of (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol?
The InChIKey is KAOLMRXXPPPFMM-XAHCXIQSSA-N. The full InChI is InChI=1S/C12H10F4O/c13-9-6-2-4-1-5(3-7(4)17)8(6)10(14)12(16)11(9)15/h4-5,7,17H,1-3H2/t4-,5-,7+/m1/s1.
What are the key properties of (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol?
(1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol has a molecular weight of 246.20 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,10S)-3,4,5,6-tetrafluorotricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-10-ol is sourced from PubChem (CID 23264814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).