(4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile

C14H22FNO — CID 70811808

IUPAC(4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile
SMILESCC1CCC([C@@H]2CC(O)C(C#N)C(F)C2)CC1
InChIInChI=1S/C14H22FNO/c1-9-2-4-10(5-3-9)11-6-13(15)12(8-16)14(17)7-11/h9-14,17H,2-7H2,1H3/t9?,10?,11-,12?,13?,14?/m0/s1
InChIKeyIEJHLIPZPLYTOG-FZLVIXCJSA-N
MW239.33 g/mol
LogP3.06
Rot. Bonds1

About (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile

(4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile (PubChem CID 70811808) has the molecular formula C14H22FNO and a molecular weight of 239.33 g/mol. Its IUPAC name is (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name(4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile
PubChem CID70811808
Molecular FormulaC14H22FNO
Molecular Weight239.33 g/mol
Exact Mass239.17
IUPAC Name(4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile
SMILESCC1CCC([C@@H]2CC(O)C(C#N)C(F)C2)CC1
InChIInChI=1S/C14H22FNO/c1-9-2-4-10(5-3-9)11-6-13(15)12(8-16)14(17)7-11/h9-14,17H,2-7H2,1H3/t9?,10?,11-,12?,13?,14?/m0/s1
InChIKeyIEJHLIPZPLYTOG-FZLVIXCJSA-N
XLogP3.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile?
The IUPAC name of (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile (CID 70811808) is (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile?
The canonical SMILES for (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile is CC1CCC([C@@H]2CC(O)C(C#N)C(F)C2)CC1.
What is the InChIKey of (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile?
The InChIKey is IEJHLIPZPLYTOG-FZLVIXCJSA-N. The full InChI is InChI=1S/C14H22FNO/c1-9-2-4-10(5-3-9)11-6-13(15)12(8-16)14(17)7-11/h9-14,17H,2-7H2,1H3/t9?,10?,11-,12?,13?,14?/m0/s1.
What are the key properties of (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile?
(4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile has a molecular weight of 239.33 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-fluoro-6-hydroxy-4-(4-methylcyclohexyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 70811808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).