(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene

C15H27F — CID 121473261

IUPAC(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
SMILESCC(C)[C@H]1CC[C@@H](C)C/C=C(\F)[C@@H](C)CC1
InChIInChI=1S/C15H27F/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h10-14H,5-9H2,1-4H3/b15-10-/t12-,13+,14+/m1/s1
InChIKeyKLCIJVITYKLXNX-MYGZBIAVSA-N
MW226.38 g/mol
LogP5.35
Rot. Bonds1

About (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene

(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene (PubChem CID 121473261) has the molecular formula C15H27F and a molecular weight of 226.38 g/mol. Its IUPAC name is (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene.

Molecular Properties

Compound Name(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
PubChem CID121473261
Molecular FormulaC15H27F
Molecular Weight226.38 g/mol
Exact Mass226.21
IUPAC Name(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
SMILESCC(C)[C@H]1CC[C@@H](C)C/C=C(\F)[C@@H](C)CC1
InChIInChI=1S/C15H27F/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h10-14H,5-9H2,1-4H3/b15-10-/t12-,13+,14+/m1/s1
InChIKeyKLCIJVITYKLXNX-MYGZBIAVSA-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 (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene?
The IUPAC name of (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene (CID 121473261) is (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene.
What is the SMILES notation for (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene?
The canonical SMILES for (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene is CC(C)[C@H]1CC[C@@H](C)C/C=C(\F)[C@@H](C)CC1.
What is the InChIKey of (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene?
The InChIKey is KLCIJVITYKLXNX-MYGZBIAVSA-N. The full InChI is InChI=1S/C15H27F/c1-11(2)14-8-5-12(3)6-10-15(16)13(4)7-9-14/h10-14H,5-9H2,1-4H3/b15-10-/t12-,13+,14+/m1/s1.
What are the key properties of (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene?
(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-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 (1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene is sourced from PubChem (CID 121473261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).