3-[1-(2,2-difluoroethylamino)ethyl]phenol

C10H13F2NO — CID 115405831

IUPAC3-[1-(2,2-difluoroethylamino)ethyl]phenol
SMILESCC(NCC(F)F)c1cccc(O)c1
InChIInChI=1S/C10H13F2NO/c1-7(13-6-10(11)12)8-3-2-4-9(14)5-8/h2-5,7,10,13-14H,6H2,1H3
InChIKeyYGTPQHVDUYHLSC-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.31
Rot. Bonds4

About 3-[1-(2,2-difluoroethylamino)ethyl]phenol

3-[1-(2,2-difluoroethylamino)ethyl]phenol (PubChem CID 115405831) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-[1-(2,2-difluoroethylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(2,2-difluoroethylamino)ethyl]phenol
PubChem CID115405831
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-[1-(2,2-difluoroethylamino)ethyl]phenol
SMILESCC(NCC(F)F)c1cccc(O)c1
InChIInChI=1S/C10H13F2NO/c1-7(13-6-10(11)12)8-3-2-4-9(14)5-8/h2-5,7,10,13-14H,6H2,1H3
InChIKeyYGTPQHVDUYHLSC-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-[1-(2,2-difluoroethylamino)ethyl]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

3-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141752
3-[1-(2,2-dimethoxyethylamino)ethyl]phenol
CID 60816650
3-[1-(2-methylpentylamino)ethyl]phenol
CID 43748423
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-[(1S)-1-(3-methylbut-2-enylamino)ethyl]phenol
CID 122156905
3-[(1R)-1-(2-bromoprop-2-enylamino)ethyl]phenol
CID 124596699
N-tert-butyl-2-[1-(3-hydroxyphenyl)ethylamino]acetamide
CID 113293150
3-[1-(cyclobutylmethylamino)ethyl]phenol
CID 43298395
3-[1-(2-phenylethylamino)ethyl]phenol
CID 43194109
N-[1-(3,4-dimethylphenyl)ethyl]-2,2-difluoroethanamine
CID 115405623

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-difluoroethylamino)ethyl]phenol?
The IUPAC name of 3-[1-(2,2-difluoroethylamino)ethyl]phenol (CID 115405831) is 3-[1-(2,2-difluoroethylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(2,2-difluoroethylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(2,2-difluoroethylamino)ethyl]phenol is CC(NCC(F)F)c1cccc(O)c1.
What is the InChIKey of 3-[1-(2,2-difluoroethylamino)ethyl]phenol?
The InChIKey is YGTPQHVDUYHLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7(13-6-10(11)12)8-3-2-4-9(14)5-8/h2-5,7,10,13-14H,6H2,1H3.
What are the key properties of 3-[1-(2,2-difluoroethylamino)ethyl]phenol?
3-[1-(2,2-difluoroethylamino)ethyl]phenol has a molecular weight of 201.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoroethylamino)ethyl]phenol is sourced from PubChem (CID 115405831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).