4-(1-fluoro-2,2-dimethylpropyl)phenol

C11H15FO — CID 83855784

IUPAC4-(1-fluoro-2,2-dimethylpropyl)phenol
SMILESCC(C)(C)C(F)c1ccc(O)cc1
InChIInChI=1S/C11H15FO/c1-11(2,3)10(12)8-4-6-9(13)7-5-8/h4-7,10,13H,1-3H3
InChIKeyLMMPBBHYRSVYCQ-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.45
Rot. Bonds1

About 4-(1-fluoro-2,2-dimethylpropyl)phenol

4-(1-fluoro-2,2-dimethylpropyl)phenol (PubChem CID 83855784) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 4-(1-fluoro-2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name4-(1-fluoro-2,2-dimethylpropyl)phenol
PubChem CID83855784
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name4-(1-fluoro-2,2-dimethylpropyl)phenol
SMILESCC(C)(C)C(F)c1ccc(O)cc1
InChIInChI=1S/C11H15FO/c1-11(2,3)10(12)8-4-6-9(13)7-5-8/h4-7,10,13H,1-3H3
InChIKeyLMMPBBHYRSVYCQ-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(1-fluoro-2,2-dimethylpropyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol
CID 105450734
4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
CID 15597034
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
(2S)-2-amino-2,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
CID 170341128
4-(2,2-dimethyl-1-nitrosopropyl)phenol
CID 54551031
4-[3-chloro-3-(4-hydroxyphenyl)butan-2-yl]phenol
CID 22623403
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-2,2-dimethylpropyl)phenol?
The IUPAC name of 4-(1-fluoro-2,2-dimethylpropyl)phenol (CID 83855784) is 4-(1-fluoro-2,2-dimethylpropyl)phenol.
What is the SMILES notation for 4-(1-fluoro-2,2-dimethylpropyl)phenol?
The canonical SMILES for 4-(1-fluoro-2,2-dimethylpropyl)phenol is CC(C)(C)C(F)c1ccc(O)cc1.
What is the InChIKey of 4-(1-fluoro-2,2-dimethylpropyl)phenol?
The InChIKey is LMMPBBHYRSVYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-11(2,3)10(12)8-4-6-9(13)7-5-8/h4-7,10,13H,1-3H3.
What are the key properties of 4-(1-fluoro-2,2-dimethylpropyl)phenol?
4-(1-fluoro-2,2-dimethylpropyl)phenol has a molecular weight of 182.24 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-2,2-dimethylpropyl)phenol is sourced from PubChem (CID 83855784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).