2-cyclopropyl-2-(4-fluorophenyl)ethanol

C11H13FO — CID 82075045

IUPAC2-cyclopropyl-2-(4-fluorophenyl)ethanol
SMILESOCC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C11H13FO/c12-10-5-3-9(4-6-10)11(7-13)8-1-2-8/h3-6,8,11,13H,1-2,7H2
InChIKeyUFBYIHBZPJADFP-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.31
Rot. Bonds3

About 2-cyclopropyl-2-(4-fluorophenyl)ethanol

2-cyclopropyl-2-(4-fluorophenyl)ethanol (PubChem CID 82075045) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluorophenyl)ethanol
PubChem CID82075045
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name2-cyclopropyl-2-(4-fluorophenyl)ethanol
SMILESOCC(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C11H13FO/c12-10-5-3-9(4-6-10)11(7-13)8-1-2-8/h3-6,8,11,13H,1-2,7H2
InChIKeyUFBYIHBZPJADFP-UHFFFAOYSA-N
XLogP2.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S)-1,5-dicyclopropyl-1,5-bis(4-fluorophenyl)pentan-3-one
CID 97304327
3-cyclopropyl-3-(4-fluorophenyl)-N-methylpropanamide
CID 82080009
N-[2-cyclopropyl-2-(4-fluorophenyl)ethyl]-2-methylpropan-2-amine
CID 113456690
2-phenyl-2-piperidin-4-ylethanol
CID 67125295
2-(4-chlorophenyl)-2-cyclohexylethanol
CID 79018633
(3R)-3-cyclohexyl-3-(4-fluorophenyl)propanoic acid
CID 51711852
4-[1-(4-fluorophenyl)propyl]piperidine;hydrochloride
CID 175461872
(2S)-2-cyclohexyl-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 146197513
3-[[cyclopropyl-(4-fluorophenyl)methyl]amino]-2,2-difluoropropan-1-ol
CID 104860682
(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67484387
2-piperidin-4-yl-2-(4-propylphenyl)ethanol
CID 116825146
ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
CID 18071355

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)ethanol?
The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)ethanol (CID 82075045) is 2-cyclopropyl-2-(4-fluorophenyl)ethanol.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)ethanol?
The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)ethanol is OCC(c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)ethanol?
The InChIKey is UFBYIHBZPJADFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c12-10-5-3-9(4-6-10)11(7-13)8-1-2-8/h3-6,8,11,13H,1-2,7H2.
What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)ethanol?
2-cyclopropyl-2-(4-fluorophenyl)ethanol has a molecular weight of 180.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluorophenyl)ethanol is sourced from PubChem (CID 82075045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).