1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol

C10H15F5O2 — CID 58995550

IUPAC1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol
SMILESOC(C1CCCCC1)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C10H15F5O2/c11-9(12,8(17)10(13,14)15)7(16)6-4-2-1-3-5-6/h6-8,16-17H,1-5H2
InChIKeyTUXWJCKDLANWSH-UHFFFAOYSA-N
MW262.22 g/mol
LogP2.49
Rot. Bonds3

About 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol

1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol (PubChem CID 58995550) has the molecular formula C10H15F5O2 and a molecular weight of 262.22 g/mol. Its IUPAC name is 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol.

Molecular Properties

Compound Name1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol
PubChem CID58995550
Molecular FormulaC10H15F5O2
Molecular Weight262.22 g/mol
Exact Mass262.10
IUPAC Name1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol
SMILESOC(C1CCCCC1)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C10H15F5O2/c11-9(12,8(17)10(13,14)15)7(16)6-4-2-1-3-5-6/h6-8,16-17H,1-5H2
InChIKeyTUXWJCKDLANWSH-UHFFFAOYSA-N
XLogP2.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)cyclohexanol
CID 2777485
1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 10943092
2-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)propane-1,3-diol
CID 101873326
2-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)cyclododecan-1-ol
CID 36947
2-(4,4-Difluorocyclohexyl)ethan-1-ol
CID 66583726
3-(4,4-Difluorocyclohexyl)propan-1-ol
CID 122552790
(1s)-1-Cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 11008557
(1R)-1-cyclohexyl-2,2,2-trifluoroethan-1-ol
CID 12636128
1-Cyclohexyl-2-fluoroethan-1-ol
CID 84716338
cis-Cyclododecanemethanol, 2-hydroxy-alpha,alpha-bis(trifluoromethyl)-
CID 294316
3-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 11389967
1-Cyclohexyl-2,2-difluoroethan-1-ol
CID 11008259

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol?
The IUPAC name of 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol (CID 58995550) is 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol.
What is the SMILES notation for 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol?
The canonical SMILES for 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol is OC(C1CCCCC1)C(F)(F)C(O)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol?
The InChIKey is TUXWJCKDLANWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5O2/c11-9(12,8(17)10(13,14)15)7(16)6-4-2-1-3-5-6/h6-8,16-17H,1-5H2.
What are the key properties of 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol?
1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol has a molecular weight of 262.22 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2,4,4,4-pentafluorobutane-1,3-diol is sourced from PubChem (CID 58995550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).