3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol

C5H9F4NO — CID 106176446

IUPAC3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC(F)F
InChIInChI=1S/C5H9F4NO/c6-4(7)1-10-2-5(8,9)3-11/h4,10-11H,1-3H2
InChIKeyBXGQJAFTAVIHEA-UHFFFAOYSA-N
MW175.12 g/mol
LogP0.47
Rot. Bonds5

About 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol

3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol (PubChem CID 106176446) has the molecular formula C5H9F4NO and a molecular weight of 175.12 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol
PubChem CID106176446
Molecular FormulaC5H9F4NO
Molecular Weight175.12 g/mol
Exact Mass175.06
IUPAC Name3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNCC(F)F
InChIInChI=1S/C5H9F4NO/c6-4(7)1-10-2-5(8,9)3-11/h4,10-11H,1-3H2
InChIKeyBXGQJAFTAVIHEA-UHFFFAOYSA-N
XLogP0.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.12
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
CID 106176261
3-(2,2-dimethoxyethylamino)-2,2-difluoropropan-1-ol
CID 106172834
4-[(2,2-difluoro-3-hydroxypropyl)amino]-3-hydroxybutanoic acid
CID 106178195
2-bromo-N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 126981031
N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 23323251
2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-piperidin-1-ylethanone
CID 106176895
N-[1-(2,2-difluoroethylamino)-2-methylpropan-2-yl]methanesulfonamide
CID 63858455
4-[2-[(2,2-difluoro-3-hydroxypropyl)amino]-1-hydroxyethyl]benzonitrile
CID 106176188
2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944
2,2-difluoro-3-[(2-hydroxy-3-octoxypropyl)amino]propan-1-ol
CID 106175962
3-[(2,2-difluoro-3-hydroxypropyl)amino]propanamide
CID 106176150
2,2-difluoro-3-(2-methylidenebutylamino)propan-1-ol
CID 106176036

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol (CID 106176446) is 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol?
The InChIKey is BXGQJAFTAVIHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F4NO/c6-4(7)1-10-2-5(8,9)3-11/h4,10-11H,1-3H2.
What are the key properties of 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol?
3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol has a molecular weight of 175.12 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106176446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).