4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol

C11H11F6NO — CID 123846536

IUPAC4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol
SMILESNC(CC(O)C(F)(F)F)(c1ccccc1F)C(F)F
InChIInChI=1S/C11H11F6NO/c12-7-4-2-1-3-6(7)10(18,9(13)14)5-8(19)11(15,16)17/h1-4,8-9,19H,5,18H2
InChIKeyBWZBZOHBTUOTSS-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.56
Rot. Bonds4

About 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol

4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol (PubChem CID 123846536) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol
PubChem CID123846536
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol
SMILESNC(CC(O)C(F)(F)F)(c1ccccc1F)C(F)F
InChIInChI=1S/C11H11F6NO/c12-7-4-2-1-3-6(7)10(18,9(13)14)5-8(19)11(15,16)17/h1-4,8-9,19H,5,18H2
InChIKeyBWZBZOHBTUOTSS-UHFFFAOYSA-N
XLogP2.56
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-3-Amino-3-(4-fluorophenyl)propan-1-ol
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(S)-2-Amino-2-phenylpropan-1-ol hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol?
The IUPAC name of 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol (CID 123846536) is 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol.
What is the SMILES notation for 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol?
The canonical SMILES for 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol is NC(CC(O)C(F)(F)F)(c1ccccc1F)C(F)F.
What is the InChIKey of 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol?
The InChIKey is BWZBZOHBTUOTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6NO/c12-7-4-2-1-3-6(7)10(18,9(13)14)5-8(19)11(15,16)17/h1-4,8-9,19H,5,18H2.
What are the key properties of 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol?
4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1,5,5-pentafluoro-4-(2-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 123846536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).