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

C15H27F — CID 91547739

IUPAC(4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
SMILESCC(C)[C@H]1CC[C@@H](C)CC=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/t12-,13-,14+/m1/s1
InChIKeyKLCIJVITYKLXNX-MCIONIFRSA-N
MW226.38 g/mol
LogP5.35
Rot. Bonds1

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

(4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene (PubChem CID 91547739) has the molecular formula C15H27F and a molecular weight of 226.38 g/mol. Its IUPAC name is (4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene.

Molecular Properties

Compound Name(4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
PubChem CID91547739
Molecular FormulaC15H27F
Molecular Weight226.38 g/mol
Exact Mass226.21
IUPAC Name(4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
SMILESCC(C)[C@H]1CC[C@@H](C)CC=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/t12-,13-,14+/m1/s1
InChIKeyKLCIJVITYKLXNX-MCIONIFRSA-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 (4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene?
The IUPAC name of (4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene (CID 91547739) is (4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene.
What is the SMILES notation for (4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene?
The canonical SMILES for (4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene is CC(C)[C@H]1CC[C@@H](C)CC=C(F)[C@H](C)CC1.
What is the InChIKey of (4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene?
The InChIKey is KLCIJVITYKLXNX-MCIONIFRSA-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/t12-,13-,14+/m1/s1.
What are the key properties of (4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene?
(4R,7S,10R)-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 (4R,7S,10R)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene is sourced from PubChem (CID 91547739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).