4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol

C15H25F5O2 — CID 59752404

IUPAC4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol
SMILESCCC(C)COC(C1CCCCC1)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C15H25F5O2/c1-3-10(2)9-22-12(11-7-5-4-6-8-11)14(16,17)13(21)15(18,19)20/h10-13,21H,3-9H2,1-2H3
InChIKeyGVRORZJEVKKLOO-UHFFFAOYSA-N
MW332.35 g/mol
LogP4.56
Rot. Bonds7

About 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol

4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol (PubChem CID 59752404) has the molecular formula C15H25F5O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol
PubChem CID59752404
Molecular FormulaC15H25F5O2
Molecular Weight332.35 g/mol
Exact Mass332.18
IUPAC Name4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol
SMILESCCC(C)COC(C1CCCCC1)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C15H25F5O2/c1-3-10(2)9-22-12(11-7-5-4-6-8-11)14(16,17)13(21)15(18,19)20/h10-13,21H,3-9H2,1-2H3
InChIKeyGVRORZJEVKKLOO-UHFFFAOYSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol?
The IUPAC name of 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol (CID 59752404) is 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol.
What is the SMILES notation for 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol?
The canonical SMILES for 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol is CCC(C)COC(C1CCCCC1)C(F)(F)C(O)C(F)(F)F.
What is the InChIKey of 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol?
The InChIKey is GVRORZJEVKKLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F5O2/c1-3-10(2)9-22-12(11-7-5-4-6-8-11)14(16,17)13(21)15(18,19)20/h10-13,21H,3-9H2,1-2H3.
What are the key properties of 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol?
4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol has a molecular weight of 332.35 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)butan-2-ol is sourced from PubChem (CID 59752404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).