3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol

C13H15F5O — CID 172708628

IUPAC3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol
SMILESCCCc1cc(F)cc(C(O)CC(F)(F)C(F)F)c1
InChIInChI=1S/C13H15F5O/c1-2-3-8-4-9(6-10(14)5-8)11(19)7-13(17,18)12(15)16/h4-6,11-12,19H,2-3,7H2,1H3
InChIKeyDYBVFWKNVGFXTE-UHFFFAOYSA-N
MW282.25 g/mol
LogP4.10
Rot. Bonds6

About 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol

3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol (PubChem CID 172708628) has the molecular formula C13H15F5O and a molecular weight of 282.25 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol
PubChem CID172708628
Molecular FormulaC13H15F5O
Molecular Weight282.25 g/mol
Exact Mass282.10
IUPAC Name3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol
SMILESCCCc1cc(F)cc(C(O)CC(F)(F)C(F)F)c1
InChIInChI=1S/C13H15F5O/c1-2-3-8-4-9(6-10(14)5-8)11(19)7-13(17,18)12(15)16/h4-6,11-12,19H,2-3,7H2,1H3
InChIKeyDYBVFWKNVGFXTE-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4-tetrafluoro-1-(3-fluoro-5-propoxyphenyl)butan-1-ol
CID 172798464
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
2-(3,5-difluorophenyl)-1-(4-propylphenyl)ethanol
CID 62800447
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
3,3,4,4-tetrafluoro-1-phenylbutan-1-ol
CID 164681881
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
1-(3,5-difluorophenyl)hexan-1-ol
CID 62608438
1-fluoro-3-propyl-5-(trifluoromethoxy)benzene
CID 142581036
(3-fluoro-5-methylphenyl)-(3-propylphenyl)methanol
CID 116543763
1-ethenyl-3-fluoro-5-propylbenzene
CID 118269346
1-(3,5-difluorophenyl)-2-methoxyethanol
CID 62791322

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol?
The IUPAC name of 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol (CID 172708628) is 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol?
The canonical SMILES for 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol is CCCc1cc(F)cc(C(O)CC(F)(F)C(F)F)c1.
What is the InChIKey of 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol?
The InChIKey is DYBVFWKNVGFXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5O/c1-2-3-8-4-9(6-10(14)5-8)11(19)7-13(17,18)12(15)16/h4-6,11-12,19H,2-3,7H2,1H3.
What are the key properties of 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol?
3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol has a molecular weight of 282.25 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-1-(3-fluoro-5-propylphenyl)butan-1-ol is sourced from PubChem (CID 172708628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).