[(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol

C11H12F2O — CID 18389832

IUPAC[(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol
SMILESOC[C@]12C3C4[C@H]5[C@@H](C[C@H]41)[C@@H]2C(F)(F)[C@@H]35
InChIInChI=1S/C11H12F2O/c12-11(13)8-5-3-1-4-6(5)7(8)10(4,2-14)9(3)11/h3-9,14H,1-2H2/t3-,4-,5-,6?,7?,8-,9+,10-/m1/s1
InChIKeyULBIMDJLUAJWTC-XHLROQQHSA-N
MW198.21 g/mol
LogP1.37
Rot. Bonds1

About [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol

[(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol (PubChem CID 18389832) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol.

Molecular Properties

Compound Name[(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol
PubChem CID18389832
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name[(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol
SMILESOC[C@]12C3C4[C@H]5[C@@H](C[C@H]41)[C@@H]2C(F)(F)[C@@H]35
InChIInChI=1S/C11H12F2O/c12-11(13)8-5-3-1-4-6(5)7(8)10(4,2-14)9(3)11/h3-9,14H,1-2H2/t3-,4-,5-,6?,7?,8-,9+,10-/m1/s1
InChIKeyULBIMDJLUAJWTC-XHLROQQHSA-N
XLogP1.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol?
The IUPAC name of [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol (CID 18389832) is [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol.
What is the SMILES notation for [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol?
The canonical SMILES for [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol is OC[C@]12C3C4[C@H]5[C@@H](C[C@H]41)[C@@H]2C(F)(F)[C@@H]35.
What is the InChIKey of [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol?
The InChIKey is ULBIMDJLUAJWTC-XHLROQQHSA-N. The full InChI is InChI=1S/C11H12F2O/c12-11(13)8-5-3-1-4-6(5)7(8)10(4,2-14)9(3)11/h3-9,14H,1-2H2/t3-,4-,5-,6?,7?,8-,9+,10-/m1/s1.
What are the key properties of [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol?
[(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol has a molecular weight of 198.21 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4R,5R,7R,8R,9R)-10,10-difluoro-2-pentacyclo[5.3.0.02,5.03,9.04,8]decanyl]methanol is sourced from PubChem (CID 18389832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).