1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol

C10H17F3O2 — CID 104753734

IUPAC1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
SMILESCC(OCC(O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-7(10(11,12)13)15-6-9(14)8-4-2-3-5-8/h7-9,14H,2-6H2,1H3
InChIKeyNETLORMMPWIAPG-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.50
Rot. Bonds4

About 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol

1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol (PubChem CID 104753734) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol.

Molecular Properties

Compound Name1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
PubChem CID104753734
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol
SMILESCC(OCC(O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-7(10(11,12)13)15-6-9(14)8-4-2-3-5-8/h7-9,14H,2-6H2,1H3
InChIKeyNETLORMMPWIAPG-UHFFFAOYSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136
1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol
CID 104753766
1-cyclopentyl-3,3,3-trifluoropropan-1-ol
CID 61392890
1-(oxolan-3-yl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 104749589
(1R)-1-cyclopentylpropan-1-ol;sulfane
CID 161153256
1-(7-bicyclo[4.1.0]heptanyl)-2-propan-2-yloxyethanol
CID 115821566
2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]piperidine
CID 66275246
(1S,3R)-1-cyclopentylbutane-1,3-diol
CID 130757763
2-(propan-2-ylamino)-3-(1,1,1-trifluoropropan-2-yloxy)propanoic acid
CID 66274629
2-cycloheptyloxy-1-cyclopentylethanol
CID 104753667
1-(4-ethylcyclohexyl)-2-propan-2-yloxyethanol
CID 79566774
1-cyclohexyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanol
CID 104753771

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol?
The IUPAC name of 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol (CID 104753734) is 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol.
What is the SMILES notation for 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol?
The canonical SMILES for 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol is CC(OCC(O)C1CCCC1)C(F)(F)F.
What is the InChIKey of 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol?
The InChIKey is NETLORMMPWIAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-7(10(11,12)13)15-6-9(14)8-4-2-3-5-8/h7-9,14H,2-6H2,1H3.
What are the key properties of 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol?
1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol has a molecular weight of 226.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanol is sourced from PubChem (CID 104753734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).