2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol

C8H13F4NO — CID 169181942

IUPAC2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol
SMILESOCC(NCC(F)F)C1(C(F)F)CC1
InChIInChI=1S/C8H13F4NO/c9-6(10)3-13-5(4-14)8(1-2-8)7(11)12/h5-7,13-14H,1-4H2
InChIKeyQNXWHFOOSNVJAT-UHFFFAOYSA-N
MW215.19 g/mol
LogP1.25
Rot. Bonds6

About 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol

2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol (PubChem CID 169181942) has the molecular formula C8H13F4NO and a molecular weight of 215.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol
PubChem CID169181942
Molecular FormulaC8H13F4NO
Molecular Weight215.19 g/mol
Exact Mass215.09
IUPAC Name2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol
SMILESOCC(NCC(F)F)C1(C(F)F)CC1
InChIInChI=1S/C8H13F4NO/c9-6(10)3-13-5(4-14)8(1-2-8)7(11)12/h5-7,13-14H,1-4H2
InChIKeyQNXWHFOOSNVJAT-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol?
The IUPAC name of 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol (CID 169181942) is 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol?
The canonical SMILES for 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol is OCC(NCC(F)F)C1(C(F)F)CC1.
What is the InChIKey of 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol?
The InChIKey is QNXWHFOOSNVJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO/c9-6(10)3-13-5(4-14)8(1-2-8)7(11)12/h5-7,13-14H,1-4H2.
What are the key properties of 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol?
2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol has a molecular weight of 215.19 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-2-[1-(difluoromethyl)cyclopropyl]ethanol is sourced from PubChem (CID 169181942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).