4-[2,2-difluoro-3-(methylamino)propyl]phenol

C10H13F2NO — CID 105453352

IUPAC4-[2,2-difluoro-3-(methylamino)propyl]phenol
SMILESCNCC(F)(F)Cc1ccc(O)cc1
InChIInChI=1S/C10H13F2NO/c1-13-7-10(11,12)6-8-2-4-9(14)5-3-8/h2-5,13-14H,6-7H2,1H3
InChIKeyXLYJZWFOKSQQMZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.79
Rot. Bonds4

About 4-[2,2-difluoro-3-(methylamino)propyl]phenol

4-[2,2-difluoro-3-(methylamino)propyl]phenol (PubChem CID 105453352) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-[2,2-difluoro-3-(methylamino)propyl]phenol.

Molecular Properties

Compound Name4-[2,2-difluoro-3-(methylamino)propyl]phenol
PubChem CID105453352
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-[2,2-difluoro-3-(methylamino)propyl]phenol
SMILESCNCC(F)(F)Cc1ccc(O)cc1
InChIInChI=1S/C10H13F2NO/c1-13-7-10(11,12)6-8-2-4-9(14)5-3-8/h2-5,13-14H,6-7H2,1H3
InChIKeyXLYJZWFOKSQQMZ-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105452062
1-(4-hydroxyphenyl)propane-2,2-diol
CID 71429856
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
4-[3-[(2,2-difluoro-3-hydroxypropyl)amino]butyl]phenol
CID 113472109
4-(3,3-difluorobutyl)phenol
CID 84660566
CID 166116888
CID 166116888
4-[4-(methylaminomethyl)phenyl]phenol;hydrochloride
CID 135326536
(2S)-2-[deuterio(methyl)amino]-3-(4-hydroxyphenyl)-2-methylpropanoic acid
CID 87409389
4-(2,2,3,3,4,4,5,5-octafluoropentyl)phenol
CID 71335860
4-[2-(4-hydroxyphenyl)-2,2-diiodoethyl]phenol
CID 70440084
4-[[4-[2,2,4,4-tetrafluoro-5-[4-[(4-hydroxyphenyl)methyl]phenoxy]pentoxy]phenyl]methyl]phenol
CID 58288779
methyl 2-tert-butyl-2-[(4-hydroxyphenyl)methyl]-3,3-dimethylbutanoate
CID 67816552

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoro-3-(methylamino)propyl]phenol?
The IUPAC name of 4-[2,2-difluoro-3-(methylamino)propyl]phenol (CID 105453352) is 4-[2,2-difluoro-3-(methylamino)propyl]phenol.
What is the SMILES notation for 4-[2,2-difluoro-3-(methylamino)propyl]phenol?
The canonical SMILES for 4-[2,2-difluoro-3-(methylamino)propyl]phenol is CNCC(F)(F)Cc1ccc(O)cc1.
What is the InChIKey of 4-[2,2-difluoro-3-(methylamino)propyl]phenol?
The InChIKey is XLYJZWFOKSQQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-13-7-10(11,12)6-8-2-4-9(14)5-3-8/h2-5,13-14H,6-7H2,1H3.
What are the key properties of 4-[2,2-difluoro-3-(methylamino)propyl]phenol?
4-[2,2-difluoro-3-(methylamino)propyl]phenol has a molecular weight of 201.22 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoro-3-(methylamino)propyl]phenol is sourced from PubChem (CID 105453352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).