2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol

C13H23F3O — CID 139741189

IUPAC2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol
SMILESCCCCCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3O/c1-2-3-4-5-10-6-8-11(9-7-10)12(17)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyXXCLVIVMUYGTQW-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.30
Rot. Bonds5

About 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol

2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol (PubChem CID 139741189) has the molecular formula C13H23F3O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol
PubChem CID139741189
Molecular FormulaC13H23F3O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol
SMILESCCCCCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C13H23F3O/c1-2-3-4-5-10-6-8-11(9-7-10)12(17)13(14,15)16/h10-12,17H,2-9H2,1H3
InChIKeyXXCLVIVMUYGTQW-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexane;pentylcyclopropane
CID 159592467
cyclohexyl-(4-pentylcyclohexyl)methanol
CID 141212039
2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol
CID 64773776
1,4-dihexylcyclohexane
CID 22947938
tetradecane;undecylcyclopropane
CID 173215670
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
1-(difluoromethyl)-4-(4-heptylcyclohexyl)cyclohexane
CID 18659068
azane;hexylcyclopropane
CID 135322230
(4-butylcyclohexyl)-cyclopropylmethanamine
CID 104994185
1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
CID 21252675
2,2-dimethyl-1-(4-propylcyclohexyl)propan-1-ol
CID 65424304

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol (CID 139741189) is 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol is CCCCCC1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol?
The InChIKey is XXCLVIVMUYGTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O/c1-2-3-4-5-10-6-8-11(9-7-10)12(17)13(14,15)16/h10-12,17H,2-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol?
2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol has a molecular weight of 252.32 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol is sourced from PubChem (CID 139741189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).