(1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene

C15H27F — CID 121473233

IUPAC(1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene
SMILESCC(C)[C@H]1CC[C@@H](CF)C/C=C/[C@@H](C)CC1
InChIInChI=1S/C15H27F/c1-12(2)15-9-7-13(3)5-4-6-14(11-16)8-10-15/h4-5,12-15H,6-11H2,1-3H3/b5-4+/t13-,14+,15-/m1/s1
InChIKeyLLGIPICWGDKPIF-MTAKSZMDSA-N
MW226.38 g/mol
LogP5.00
Rot. Bonds2

About (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene

(1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene (PubChem CID 121473233) has the molecular formula C15H27F and a molecular weight of 226.38 g/mol. Its IUPAC name is (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene.

Molecular Properties

Compound Name(1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene
PubChem CID121473233
Molecular FormulaC15H27F
Molecular Weight226.38 g/mol
Exact Mass226.21
IUPAC Name(1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene
SMILESCC(C)[C@H]1CC[C@@H](CF)C/C=C/[C@@H](C)CC1
InChIInChI=1S/C15H27F/c1-12(2)15-9-7-13(3)5-4-6-14(11-16)8-10-15/h4-5,12-15H,6-11H2,1-3H3/b5-4+/t13-,14+,15-/m1/s1
InChIKeyLLGIPICWGDKPIF-MTAKSZMDSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

delta-Cadinene
CID 441005
Germacrene D
CID 5317570
Alpha-muurolene, (-)-
CID 12306047
(1E,6E)-1-methyl-5-methylidene-8-(propan-2-yl)cyclodeca-1,6-diene
CID 6436582
(-)-delta-Cadinene
CID 12306055
alpha-Cadinene, (+)-
CID 12306048
(+)-Germacrene D
CID 24771782
Naphthalene, 1,2,3,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-cis)-
CID 10223
1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-(1-methylethyl)naphthalene
CID 101708
(-)-alpha-Amorphene
CID 12306052
(+)-alpha-Amorphene
CID 12306046
3-(1-Methylethyl)cyclohexene
CID 520966

Frequently Asked Questions

What is the IUPAC name of (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene?
The IUPAC name of (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene (CID 121473233) is (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene.
What is the SMILES notation for (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene?
The canonical SMILES for (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene is CC(C)[C@H]1CC[C@@H](CF)C/C=C/[C@@H](C)CC1.
What is the InChIKey of (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene?
The InChIKey is LLGIPICWGDKPIF-MTAKSZMDSA-N. The full InChI is InChI=1S/C15H27F/c1-12(2)15-9-7-13(3)5-4-6-14(11-16)8-10-15/h4-5,12-15H,6-11H2,1-3H3/b5-4+/t13-,14+,15-/m1/s1.
What are the key properties of (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene?
(1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene has a molecular weight of 226.38 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3S,6R,9R)-9-(fluoromethyl)-3-methyl-6-propan-2-ylcyclodecene is sourced from PubChem (CID 121473233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).