4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol

C15H17F7O — CID 156764819

IUPAC4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
SMILESCCCc1cccc(C(C)(O)CC(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C15H17F7O/c1-3-5-10-6-4-7-11(8-10)12(2,23)9-13(16,14(17,18)19)15(20,21)22/h4,6-8,23H,3,5,9H2,1-2H3
InChIKeyCCBYEXNUYHFXIQ-UHFFFAOYSA-N
MW346.29 g/mol
LogP5.07
Rot. Bonds5

About 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol

4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol (PubChem CID 156764819) has the molecular formula C15H17F7O and a molecular weight of 346.29 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
PubChem CID156764819
Molecular FormulaC15H17F7O
Molecular Weight346.29 g/mol
Exact Mass346.12
IUPAC Name4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
SMILESCCCc1cccc(C(C)(O)CC(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C15H17F7O/c1-3-5-10-6-4-7-11(8-10)12(2,23)9-13(16,14(17,18)19)15(20,21)22/h4,6-8,23H,3,5,9H2,1-2H3
InChIKeyCCBYEXNUYHFXIQ-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
CID 116545598
3-(3-propylphenyl)pentan-3-ol
CID 116542305
1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
4-(2-methylpropylamino)-2-(3-propylphenyl)butan-2-ol
CID 116546296
2-(3-butylphenyl)-1-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)propan-2-ol
CID 162348197
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
CID 91471137
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
3-[1-hydroxy-1-(3-propylphenyl)ethyl]benzonitrile
CID 116542774
1-(2-chlorophenyl)-1-(3-propylphenyl)ethanol
CID 116542288
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696

Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol (CID 156764819) is 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol is CCCc1cccc(C(C)(O)CC(F)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol?
The InChIKey is CCBYEXNUYHFXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F7O/c1-3-5-10-6-4-7-11(8-10)12(2,23)9-13(16,14(17,18)19)15(20,21)22/h4,6-8,23H,3,5,9H2,1-2H3.
What are the key properties of 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol?
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol has a molecular weight of 346.29 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 156764819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).