4-(3,3-difluorobutyl)phenol

C10H12F2O — CID 84660566

IUPAC4-(3,3-difluorobutyl)phenol
SMILESCC(F)(F)CCc1ccc(O)cc1
InChIInChI=1S/C10H12F2O/c1-10(11,12)7-6-8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3
InChIKeyWGVBPZHVPCBLON-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.98
Rot. Bonds3

About 4-(3,3-difluorobutyl)phenol

4-(3,3-difluorobutyl)phenol (PubChem CID 84660566) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 4-(3,3-difluorobutyl)phenol.

Molecular Properties

Compound Name4-(3,3-difluorobutyl)phenol
PubChem CID84660566
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name4-(3,3-difluorobutyl)phenol
SMILESCC(F)(F)CCc1ccc(O)cc1
InChIInChI=1S/C10H12F2O/c1-10(11,12)7-6-8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3
InChIKeyWGVBPZHVPCBLON-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-4-(3,3-difluorobutyl)benzene
CID 84706880
2-[4-(3,3-difluorobutyl)phenyl]ethanamine
CID 84679777
4-[3-(aminomethyl)-4,4-difluoro-3-methylbutyl]phenol
CID 84726135
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
4-(4,4-dimethylpentyl)phenol
CID 20692467
4-[3-[hydroxy(dimethyl)silyl]-3-methylbutyl]phenol
CID 71156678
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
2-amino-4-(4-hydroxyphenyl)-2-methylbutanenitrile
CID 16791985
4-[4-hydroxy-3-methyl-3-(methylamino)butyl]phenol
CID 61055515
2-[2-(4-hydroxyphenyl)ethyl]propane-1,2,3-triol
CID 141207960
4-(3,3-difluorobutylsulfanyl)phenol
CID 84683808
4-[2-(4-hydroxyphenyl)-4-phenylbutan-2-yl]phenol
CID 14250443

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutyl)phenol?
The IUPAC name of 4-(3,3-difluorobutyl)phenol (CID 84660566) is 4-(3,3-difluorobutyl)phenol.
What is the SMILES notation for 4-(3,3-difluorobutyl)phenol?
The canonical SMILES for 4-(3,3-difluorobutyl)phenol is CC(F)(F)CCc1ccc(O)cc1.
What is the InChIKey of 4-(3,3-difluorobutyl)phenol?
The InChIKey is WGVBPZHVPCBLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-10(11,12)7-6-8-2-4-9(13)5-3-8/h2-5,13H,6-7H2,1H3.
What are the key properties of 4-(3,3-difluorobutyl)phenol?
4-(3,3-difluorobutyl)phenol has a molecular weight of 186.20 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutyl)phenol is sourced from PubChem (CID 84660566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).