4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol

C12H16F3NO — CID 163265601

IUPAC4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol
SMILESCCNCC(F)(F)C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H16F3NO/c1-3-16-8-12(14,15)11(2,17)9-4-6-10(13)7-5-9/h4-7,16-17H,3,8H2,1-2H3
InChIKeyHIPKASLQAWRDNQ-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.28
Rot. Bonds5

About 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol

4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol (PubChem CID 163265601) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol
PubChem CID163265601
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol
SMILESCCNCC(F)(F)C(C)(O)c1ccc(F)cc1
InChIInChI=1S/C12H16F3NO/c1-3-16-8-12(14,15)11(2,17)9-4-6-10(13)7-5-9/h4-7,16-17H,3,8H2,1-2H3
InChIKeyHIPKASLQAWRDNQ-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 66038175
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
2-(4-tert-butylphenyl)-1-(ethylamino)propan-2-ol
CID 62773195
N-ethyl-3-(4-fluorophenyl)-3-methylbutan-1-amine
CID 79830560
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
2-(4-fluorophenyl)propan-2-ol
CID 637733
1-(tert-butylamino)-2-(4-fluorophenyl)butan-2-ol
CID 62772830
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
2-(2-chloro-5-fluorophenyl)-1-(ethylamino)propan-2-ol
CID 105396212
1-(ethylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704574
4,4,5,5,6,6,6-heptafluoro-2-(4-fluorophenyl)hexan-2-ol
CID 156764671
1-(ethylamino)-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105375921

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol?
The IUPAC name of 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol (CID 163265601) is 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol.
What is the SMILES notation for 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol?
The canonical SMILES for 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol is CCNCC(F)(F)C(C)(O)c1ccc(F)cc1.
What is the InChIKey of 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol?
The InChIKey is HIPKASLQAWRDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-3-16-8-12(14,15)11(2,17)9-4-6-10(13)7-5-9/h4-7,16-17H,3,8H2,1-2H3.
What are the key properties of 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol?
4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol has a molecular weight of 247.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-3,3-difluoro-2-(4-fluorophenyl)butan-2-ol is sourced from PubChem (CID 163265601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).