(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol

C14H17F4NO — CID 79010590

IUPAC(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCC(C(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C14H17F4NO/c1-9(20)10-2-3-13(12(15)8-10)19-6-4-11(5-7-19)14(16,17)18/h2-3,8-9,11,20H,4-7H2,1H3/t9-/m0/s1
InChIKeyBERRJXXTMFXATH-VIFPVBQESA-N
MW291.29 g/mol
LogP3.66
Rot. Bonds2

About (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol

(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol (PubChem CID 79010590) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
PubChem CID79010590
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N2CCC(C(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C14H17F4NO/c1-9(20)10-2-3-13(12(15)8-10)19-6-4-11(5-7-19)14(16,17)18/h2-3,8-9,11,20H,4-7H2,1H3/t9-/m0/s1
InChIKeyBERRJXXTMFXATH-VIFPVBQESA-N
XLogP3.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol (CID 79010590) is (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol is C[C@H](O)c1ccc(N2CCC(C(F)(F)F)CC2)c(F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol?
The InChIKey is BERRJXXTMFXATH-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17F4NO/c1-9(20)10-2-3-13(12(15)8-10)19-6-4-11(5-7-19)14(16,17)18/h2-3,8-9,11,20H,4-7H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol?
(1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol has a molecular weight of 291.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]ethanol is sourced from PubChem (CID 79010590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).