1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol

C11H19F3O — CID 115808726

IUPAC1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol
SMILESCCC1(C(O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C11H19F3O/c1-2-10(6-3-4-7-10)9(15)5-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyMBYDNYYXTWKDBF-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.66
Rot. Bonds4

About 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol

1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 115808726) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol
PubChem CID115808726
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol
SMILESCCC1(C(O)CCC(F)(F)F)CCCC1
InChIInChI=1S/C11H19F3O/c1-2-10(6-3-4-7-10)9(15)5-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyMBYDNYYXTWKDBF-UHFFFAOYSA-N
XLogP3.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4,4-trifluoro-1-hydroxybutyl)cyclopentan-1-ol
CID 103448224
4,4,4-trifluoro-1-(1-methoxycyclobutyl)butan-1-ol
CID 116710452
4,4,4-trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol
CID 79057691
1-(1-ethylcyclopentyl)-2-propan-2-yloxyethanol
CID 115821425
4,4,4-trifluoro-1-(1-methylcyclopentyl)butan-1-amine
CID 104992617
[1-(1-ethylcyclopentyl)-4,4-dimethylpentyl]hydrazine
CID 105300036
2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol
CID 102867504
4,4-dimethyl-1-(2-methyloxan-2-yl)pentan-1-ol
CID 80684519
(1-ethylcyclopentyl)-(4-methylcyclohexyl)methanol
CID 115805271
1-(1-butylcyclobutyl)hexan-1-ol
CID 143267865
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(1-ethylcyclopentyl)propan-1-ol
CID 115802827
4-methoxy-1-(1-methoxycycloheptyl)-4-methylpentan-1-ol
CID 103035594

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol (CID 115808726) is 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol is CCC1(C(O)CCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is MBYDNYYXTWKDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O/c1-2-10(6-3-4-7-10)9(15)5-8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol?
1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 224.27 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylcyclopentyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 115808726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).