2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol

C11H12F5NO2 — CID 126831566

IUPAC2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol
SMILESOCC(CO)(NCc1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C11H12F5NO2/c12-8-2-1-3-9(13)7(8)4-17-10(5-18,6-19)11(14,15)16/h1-3,17-19H,4-6H2
InChIKeyQWQURXDVKVWPIZ-UHFFFAOYSA-N
MW285.21 g/mol
LogP1.34
Rot. Bonds5

About 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol

2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol (PubChem CID 126831566) has the molecular formula C11H12F5NO2 and a molecular weight of 285.21 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol
PubChem CID126831566
Molecular FormulaC11H12F5NO2
Molecular Weight285.21 g/mol
Exact Mass285.08
IUPAC Name2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol
SMILESOCC(CO)(NCc1c(F)cccc1F)C(F)(F)F
InChIInChI=1S/C11H12F5NO2/c12-8-2-1-3-9(13)7(8)4-17-10(5-18,6-19)11(14,15)16/h1-3,17-19H,4-6H2
InChIKeyQWQURXDVKVWPIZ-UHFFFAOYSA-N
XLogP1.34
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.21
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478439
methyl 2-[(2,6-difluorophenyl)methylamino]-2-methylpropanoate
CID 43725907
3-[(2,6-difluorophenyl)methylamino]-3-methylbutanamide
CID 104580524
N-chloro-1-(2,6-difluorophenyl)methanamine
CID 126658076
4-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylbutan-2-amine
CID 114934231
1-[(2,6-difluorophenyl)methylamino]-2-methylpropan-2-ol
CID 63933107
2-amino-N-[(2,6-difluorophenyl)methyl]acetamide;hydrochloride
CID 130684116
N'-tert-butyl-N-[(2,6-difluorophenyl)methyl]ethane-1,2-diamine
CID 113405352
2-(benzylamino)-2-(2-fluorophenyl)propan-1-ol
CID 61046917
(2,6-difluorophenyl)methylthiourea;hydrobromide
CID 173140070
N-[2-[(2,6-difluorophenyl)methylamino]ethyl]acetamide
CID 28684466
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol?
The IUPAC name of 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol (CID 126831566) is 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol?
The canonical SMILES for 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol is OCC(CO)(NCc1c(F)cccc1F)C(F)(F)F.
What is the InChIKey of 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol?
The InChIKey is QWQURXDVKVWPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO2/c12-8-2-1-3-9(13)7(8)4-17-10(5-18,6-19)11(14,15)16/h1-3,17-19H,4-6H2.
What are the key properties of 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol?
2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol has a molecular weight of 285.21 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methylamino]-2-(trifluoromethyl)propane-1,3-diol is sourced from PubChem (CID 126831566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).