ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane

C12H25F — CID 145106735

IUPACethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane
SMILESCC.CCC[C@]1(F)CCC[C@@H](C)C1
InChIInChI=1S/C10H19F.C2H6/c1-3-6-10(11)7-4-5-9(2)8-10;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-,10+;/m1./s1
InChIKeyVZVWZZCWDJGPRF-UXQCFNEQSA-N
MW188.33 g/mol
LogP4.73
Rot. Bonds2

About ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane

ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane (PubChem CID 145106735) has the molecular formula C12H25F and a molecular weight of 188.33 g/mol. Its IUPAC name is ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane.

Molecular Properties

Compound Nameethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane
PubChem CID145106735
Molecular FormulaC12H25F
Molecular Weight188.33 g/mol
Exact Mass188.19
IUPAC Nameethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane
SMILESCC.CCC[C@]1(F)CCC[C@@H](C)C1
InChIInChI=1S/C10H19F.C2H6/c1-3-6-10(11)7-4-5-9(2)8-10;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-,10+;/m1./s1
InChIKeyVZVWZZCWDJGPRF-UXQCFNEQSA-N
XLogP4.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane?
The IUPAC name of ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane (CID 145106735) is ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane.
What is the SMILES notation for ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane?
The canonical SMILES for ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane is CC.CCC[C@]1(F)CCC[C@@H](C)C1.
What is the InChIKey of ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane?
The InChIKey is VZVWZZCWDJGPRF-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H19F.C2H6/c1-3-6-10(11)7-4-5-9(2)8-10;1-2/h9H,3-8H2,1-2H3;1-2H3/t9-,10+;/m1./s1.
What are the key properties of ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane?
ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane has a molecular weight of 188.33 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane is sourced from PubChem (CID 145106735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).