4-[1,1-difluoro-2-(methylamino)propyl]phenol

C10H13F2NO — CID 105453365

IUPAC4-[1,1-difluoro-2-(methylamino)propyl]phenol
SMILESCNC(C)C(F)(F)c1ccc(O)cc1
InChIInChI=1S/C10H13F2NO/c1-7(13-2)10(11,12)8-3-5-9(14)6-4-8/h3-7,13-14H,1-2H3
InChIKeyOXQBFDRUJBYMPG-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.09
Rot. Bonds3

About 4-[1,1-difluoro-2-(methylamino)propyl]phenol

4-[1,1-difluoro-2-(methylamino)propyl]phenol (PubChem CID 105453365) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-[1,1-difluoro-2-(methylamino)propyl]phenol.

Molecular Properties

Compound Name4-[1,1-difluoro-2-(methylamino)propyl]phenol
PubChem CID105453365
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-[1,1-difluoro-2-(methylamino)propyl]phenol
SMILESCNC(C)C(F)(F)c1ccc(O)cc1
InChIInChI=1S/C10H13F2NO/c1-7(13-2)10(11,12)8-3-5-9(14)6-4-8/h3-7,13-14H,1-2H3
InChIKeyOXQBFDRUJBYMPG-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1,1,2,2-tetrafluoro-2-(4-hydroxyphenyl)ethyl]phenol
CID 11369659
4-(trifluoromethyl)(18F)phenol
CID 71660610
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
(2R,3S)-1,1,1-trifluoro-3-(methylamino)-2-phenylbutan-2-ol
CID 134960749
4-[(4-tert-butylphenyl)methyl]phenol;2-methylpropane
CID 143086936
4-(2-methyl-3-sulfanylbutan-2-yl)phenol
CID 115020824
1,1,1-trifluoro-4-(4-hydroxyphenyl)-3-methyl-4-(methylamino)butan-2-one
CID 174907248
bis(4-tert-butylphenol);zirconium
CID 87864994
4-tert-butylphenol;cobalt
CID 174380967
4-tert-butylphenol;titanium
CID 20801499
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-tert-butylphenol;nickel
CID 162056786

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-difluoro-2-(methylamino)propyl]phenol?
The IUPAC name of 4-[1,1-difluoro-2-(methylamino)propyl]phenol (CID 105453365) is 4-[1,1-difluoro-2-(methylamino)propyl]phenol.
What is the SMILES notation for 4-[1,1-difluoro-2-(methylamino)propyl]phenol?
The canonical SMILES for 4-[1,1-difluoro-2-(methylamino)propyl]phenol is CNC(C)C(F)(F)c1ccc(O)cc1.
What is the InChIKey of 4-[1,1-difluoro-2-(methylamino)propyl]phenol?
The InChIKey is OXQBFDRUJBYMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7(13-2)10(11,12)8-3-5-9(14)6-4-8/h3-7,13-14H,1-2H3.
What are the key properties of 4-[1,1-difluoro-2-(methylamino)propyl]phenol?
4-[1,1-difluoro-2-(methylamino)propyl]phenol has a molecular weight of 201.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,1-difluoro-2-(methylamino)propyl]phenol is sourced from PubChem (CID 105453365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).