1-[1-(trifluoromethyl)cyclopropyl]ethanol

C6H9F3O — CID 121310065

IUPAC1-[1-(trifluoromethyl)cyclopropyl]ethanol
SMILESCC(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C6H9F3O/c1-4(10)5(2-3-5)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyYDGHMPLDQCHQAT-UHFFFAOYSA-N
MW154.13 g/mol
LogP1.71
Rot. Bonds1

About 1-[1-(trifluoromethyl)cyclopropyl]ethanol

1-[1-(trifluoromethyl)cyclopropyl]ethanol (PubChem CID 121310065) has the molecular formula C6H9F3O and a molecular weight of 154.13 g/mol. Its IUPAC name is 1-[1-(trifluoromethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name1-[1-(trifluoromethyl)cyclopropyl]ethanol
PubChem CID121310065
Molecular FormulaC6H9F3O
Molecular Weight154.13 g/mol
Exact Mass154.06
IUPAC Name1-[1-(trifluoromethyl)cyclopropyl]ethanol
SMILESCC(O)C1(C(F)(F)F)CC1
InChIInChI=1S/C6H9F3O/c1-4(10)5(2-3-5)6(7,8)9/h4,10H,2-3H2,1H3
InChIKeyYDGHMPLDQCHQAT-UHFFFAOYSA-N
XLogP1.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]ethanol?
The IUPAC name of 1-[1-(trifluoromethyl)cyclopropyl]ethanol (CID 121310065) is 1-[1-(trifluoromethyl)cyclopropyl]ethanol.
What is the SMILES notation for 1-[1-(trifluoromethyl)cyclopropyl]ethanol?
The canonical SMILES for 1-[1-(trifluoromethyl)cyclopropyl]ethanol is CC(O)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-[1-(trifluoromethyl)cyclopropyl]ethanol?
The InChIKey is YDGHMPLDQCHQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3O/c1-4(10)5(2-3-5)6(7,8)9/h4,10H,2-3H2,1H3.
What are the key properties of 1-[1-(trifluoromethyl)cyclopropyl]ethanol?
1-[1-(trifluoromethyl)cyclopropyl]ethanol has a molecular weight of 154.13 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(trifluoromethyl)cyclopropyl]ethanol is sourced from PubChem (CID 121310065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).