4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile

C15H24FNO — CID 70991090

IUPAC4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile
SMILESCCC1CCC(C2CC(O)C(C#N)C(F)C2)CC1
InChIInChI=1S/C15H24FNO/c1-2-10-3-5-11(6-4-10)12-7-14(16)13(9-17)15(18)8-12/h10-15,18H,2-8H2,1H3
InChIKeyTTXXDIQNIDNKGC-UHFFFAOYSA-N
MW253.36 g/mol
LogP3.45
Rot. Bonds2

About 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile

4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile (PubChem CID 70991090) has the molecular formula C15H24FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile
PubChem CID70991090
Molecular FormulaC15H24FNO
Molecular Weight253.36 g/mol
Exact Mass253.18
IUPAC Name4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile
SMILESCCC1CCC(C2CC(O)C(C#N)C(F)C2)CC1
InChIInChI=1S/C15H24FNO/c1-2-10-3-5-11(6-4-10)12-7-14(16)13(9-17)15(18)8-12/h10-15,18H,2-8H2,1H3
InChIKeyTTXXDIQNIDNKGC-UHFFFAOYSA-N
XLogP3.45
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile?
The IUPAC name of 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile (CID 70991090) is 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile?
The canonical SMILES for 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile is CCC1CCC(C2CC(O)C(C#N)C(F)C2)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile?
The InChIKey is TTXXDIQNIDNKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO/c1-2-10-3-5-11(6-4-10)12-7-14(16)13(9-17)15(18)8-12/h10-15,18H,2-8H2,1H3.
What are the key properties of 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile?
4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile has a molecular weight of 253.36 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)-2-fluoro-6-hydroxycyclohexane-1-carbonitrile is sourced from PubChem (CID 70991090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).