3,3,4,4-tetrafluoro-1-phenylbutan-1-ol

C10H10F4O — CID 164681881

IUPAC3,3,4,4-tetrafluoro-1-phenylbutan-1-ol
SMILESOC(CC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C10H10F4O/c11-9(12)10(13,14)6-8(15)7-4-2-1-3-5-7/h1-5,8-9,15H,6H2
InChIKeyXKNZZYGSMMDLEE-UHFFFAOYSA-N
MW222.18 g/mol
LogP3.01
Rot. Bonds4

About 3,3,4,4-tetrafluoro-1-phenylbutan-1-ol

3,3,4,4-tetrafluoro-1-phenylbutan-1-ol (PubChem CID 164681881) has the molecular formula C10H10F4O and a molecular weight of 222.18 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-1-phenylbutan-1-ol.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-1-phenylbutan-1-ol
PubChem CID164681881
Molecular FormulaC10H10F4O
Molecular Weight222.18 g/mol
Exact Mass222.07
IUPAC Name3,3,4,4-tetrafluoro-1-phenylbutan-1-ol
SMILESOC(CC(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C10H10F4O/c11-9(12)10(13,14)6-8(15)7-4-2-1-3-5-7/h1-5,8-9,15H,6H2
InChIKeyXKNZZYGSMMDLEE-UHFFFAOYSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 53.01
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

(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
5,5,5-trifluoro-1-phenylpentane-1,4-diol
CID 79423436
(4S)-4-hydroxy-2,2-dimethyl-4-phenylbutanoic acid
CID 95562171
bis(2,2,3,3-tetrafluoropropoxy)methylbenzene
CID 12839498
3-methyl-1-phenylpentane-1,3-diol
CID 173455419
bis(1,3-diphenylpropane-1,3-diol);nickel
CID 5232029
(2R)-2-phenyl-2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetamide
CID 96547909
3,3,4,4-tetrafluoro-1-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]butan-1-ol
CID 172679512
(1R,3R)-3-amino-4,4,4-trifluoro-1-phenylbutan-1-ol;hydrochloride
CID 171237918
(1,3-dihydroxy-3-phenyl-1-phosphonopropyl)phosphonic acid
CID 13487796

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-1-phenylbutan-1-ol?
The IUPAC name of 3,3,4,4-tetrafluoro-1-phenylbutan-1-ol (CID 164681881) is 3,3,4,4-tetrafluoro-1-phenylbutan-1-ol.
What is the SMILES notation for 3,3,4,4-tetrafluoro-1-phenylbutan-1-ol?
The canonical SMILES for 3,3,4,4-tetrafluoro-1-phenylbutan-1-ol is OC(CC(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of 3,3,4,4-tetrafluoro-1-phenylbutan-1-ol?
The InChIKey is XKNZZYGSMMDLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O/c11-9(12)10(13,14)6-8(15)7-4-2-1-3-5-7/h1-5,8-9,15H,6H2.
What are the key properties of 3,3,4,4-tetrafluoro-1-phenylbutan-1-ol?
3,3,4,4-tetrafluoro-1-phenylbutan-1-ol has a molecular weight of 222.18 g/mol, XLogP of 3.01, 4 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-phenylbutan-1-ol is sourced from PubChem (CID 164681881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).