4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol

C11H16FNO — CID 105450734

IUPAC4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol
SMILESCC(C)(CN)C(F)c1ccc(O)cc1
InChIInChI=1S/C11H16FNO/c1-11(2,7-13)10(12)8-3-5-9(14)6-4-8/h3-6,10,14H,7,13H2,1-2H3
InChIKeyFLCZAMBRXGHKOE-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.39
Rot. Bonds3

About 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol

4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol (PubChem CID 105450734) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol.

Molecular Properties

Compound Name4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol
PubChem CID105450734
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol
SMILESCC(C)(CN)C(F)c1ccc(O)cc1
InChIInChI=1S/C11H16FNO/c1-11(2,7-13)10(12)8-3-5-9(14)6-4-8/h3-6,10,14H,7,13H2,1-2H3
InChIKeyFLCZAMBRXGHKOE-UHFFFAOYSA-N
XLogP2.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-fluoro-2,2-dimethylpropyl)phenol
CID 83855784
4-[3-(aminomethyl)-4,4-difluoro-3-methylbutyl]phenol
CID 84726135
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol
CID 151615052
4-[(2R,3R)-3-amino-4-fluoro-3-methylbutan-2-yl]phenol
CID 163467451
(2S)-2-amino-2,3-difluoro-3-(4-hydroxyphenyl)propanoic acid
CID 170341128
4-[(1R)-1-amino-2,2-difluoroethyl]phenol
CID 130707257
4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
CID 15597034
4-(4-amino-4-methylpentan-2-yl)phenol
CID 83907598
1-(4-fluorophenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933363
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol?
The IUPAC name of 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol (CID 105450734) is 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol.
What is the SMILES notation for 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol?
The canonical SMILES for 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol is CC(C)(CN)C(F)c1ccc(O)cc1.
What is the InChIKey of 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol?
The InChIKey is FLCZAMBRXGHKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-11(2,7-13)10(12)8-3-5-9(14)6-4-8/h3-6,10,14H,7,13H2,1-2H3.
What are the key properties of 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol?
4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol has a molecular weight of 197.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-1-fluoro-2,2-dimethylpropyl)phenol is sourced from PubChem (CID 105450734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).