ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane

C13H27F — CID 171106643

IUPACethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
SMILESCC.CC1CCC(C(C)C)C(C)(F)C1
InChIInChI=1S/C11H21F.C2H6/c1-8(2)10-6-5-9(3)7-11(10,4)12;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyONVBLJTZLABLPK-UHFFFAOYSA-N
MW202.36 g/mol
LogP4.83
Rot. Bonds1

About ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane

ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane (PubChem CID 171106643) has the molecular formula C13H27F and a molecular weight of 202.36 g/mol. Its IUPAC name is ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane.

Molecular Properties

Compound Nameethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
PubChem CID171106643
Molecular FormulaC13H27F
Molecular Weight202.36 g/mol
Exact Mass202.21
IUPAC Nameethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane
SMILESCC.CC1CCC(C(C)C)C(C)(F)C1
InChIInChI=1S/C11H21F.C2H6/c1-8(2)10-6-5-9(3)7-11(10,4)12;1-2/h8-10H,5-7H2,1-4H3;1-2H3
InChIKeyONVBLJTZLABLPK-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane 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

(4S,7R)-7-methyl-4-propan-2-yl-1,2-diazaspiro[2.5]oct-1-ene
CID 45096322
7-methyl-4-propan-2-yl-1,2-dioxaspiro[2.5]octane
CID 15728160
(1R,2S,5R)-1-chloro-5-methyl-1-nitroso-2-propan-2-ylcyclohexane
CID 134994121
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
1-(2,2,4-trimethylcyclohexyl)ethylsilane
CID 123412592
1-[(1R,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]ethanone
CID 142684025
(1S,2S,5R)-1-bromo-5-methyl-1-nitroso-2-propan-2-ylcyclohexane
CID 134886274
(8R,11S)-8-methyl-3,11-di(propan-2-yl)-2,4-dioxaspiro[5.5]undecane
CID 168973924
(1R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexane-1-carboxamide
CID 175491800
(1R,2S,5R)-1-chloro-5-methyl-1-nitro-2-propan-2-ylcyclohexane
CID 11063945
1-ethoxy-5-methyl-2-propan-2-ylcyclohexane-1-carbonitrile
CID 66072752
1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 62772775

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane?
The IUPAC name of ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane (CID 171106643) is ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane.
What is the SMILES notation for ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane?
The canonical SMILES for ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane is CC.CC1CCC(C(C)C)C(C)(F)C1.
What is the InChIKey of ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane?
The InChIKey is ONVBLJTZLABLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F.C2H6/c1-8(2)10-6-5-9(3)7-11(10,4)12;1-2/h8-10H,5-7H2,1-4H3;1-2H3.
What are the key properties of ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane?
ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane has a molecular weight of 202.36 g/mol, XLogP of 4.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexane is sourced from PubChem (CID 171106643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).