(3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene

C15H27F — CID 90980723

IUPAC(3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene
SMILESCC(C)[C@H]1CC[C@@H](C)CC(F)=C[C@H](C)CC1
InChIInChI=1S/C15H27F/c1-11(2)14-7-5-12(3)9-15(16)10-13(4)6-8-14/h9,11-14H,5-8,10H2,1-4H3/t12-,13-,14-/m1/s1
InChIKeyPROOCHVITUAGIZ-MGPQQGTHSA-N
MW226.38 g/mol
LogP5.35
Rot. Bonds1

About (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene

(3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene (PubChem CID 90980723) has the molecular formula C15H27F and a molecular weight of 226.38 g/mol. Its IUPAC name is (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene.

Molecular Properties

Compound Name(3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene
PubChem CID90980723
Molecular FormulaC15H27F
Molecular Weight226.38 g/mol
Exact Mass226.21
IUPAC Name(3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene
SMILESCC(C)[C@H]1CC[C@@H](C)CC(F)=C[C@H](C)CC1
InChIInChI=1S/C15H27F/c1-11(2)14-7-5-12(3)9-15(16)10-13(4)6-8-14/h9,11-14H,5-8,10H2,1-4H3/t12-,13-,14-/m1/s1
InChIKeyPROOCHVITUAGIZ-MGPQQGTHSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.38
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene?
The IUPAC name of (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene (CID 90980723) is (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene.
What is the SMILES notation for (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene?
The canonical SMILES for (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene is CC(C)[C@H]1CC[C@@H](C)CC(F)=C[C@H](C)CC1.
What is the InChIKey of (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene?
The InChIKey is PROOCHVITUAGIZ-MGPQQGTHSA-N. The full InChI is InChI=1S/C15H27F/c1-11(2)14-7-5-12(3)9-15(16)10-13(4)6-8-14/h9,11-14H,5-8,10H2,1-4H3/t12-,13-,14-/m1/s1.
What are the key properties of (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene?
(3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene has a molecular weight of 226.38 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,9R)-1-fluoro-3,9-dimethyl-6-propan-2-ylcyclodecene is sourced from PubChem (CID 90980723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).