2-(2,2-difluoroethylamino)butan-1-ol

C6H13F2NO — CID 60922929

IUPAC2-(2,2-difluoroethylamino)butan-1-ol
SMILESCCC(CO)NCC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-5(4-10)9-3-6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyAQMOSUMJYZLGJU-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.61
Rot. Bonds5

About 2-(2,2-difluoroethylamino)butan-1-ol

2-(2,2-difluoroethylamino)butan-1-ol (PubChem CID 60922929) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)butan-1-ol
PubChem CID60922929
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2-(2,2-difluoroethylamino)butan-1-ol
SMILESCCC(CO)NCC(F)F
InChIInChI=1S/C6H13F2NO/c1-2-5(4-10)9-3-6(7)8/h5-6,9-10H,2-4H2,1H3
InChIKeyAQMOSUMJYZLGJU-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1-Methylpropyl)amino]ethanol
CID 98429
2-(Methylamino)-1-butanol
CID 119693
2-(Ethylamino)butan-1-ol
CID 469952
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2-(Methylamino)-1-butanol, (S)-
CID 13199111
2-(Ethylamino)propan-1-ol
CID 14302278
(2S)-2-(ethylamino)propan-1-ol
CID 14302279
(S)-2-Isopropylaminopropane-1-Ol
CID 14387473
(2R)-2-(ethylamino)propan-1-ol
CID 28064758
3-(Ethylamino)-1,1,1-trifluoropropan-2-ol
CID 63900017
2-(2-Hydroxyethylamino)butan-1-ol
CID 13418631
2-[(2,2,2-Trifluoroethyl)amino]butan-1-ol
CID 43499784

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)butan-1-ol?
The IUPAC name of 2-(2,2-difluoroethylamino)butan-1-ol (CID 60922929) is 2-(2,2-difluoroethylamino)butan-1-ol.
What is the SMILES notation for 2-(2,2-difluoroethylamino)butan-1-ol?
The canonical SMILES for 2-(2,2-difluoroethylamino)butan-1-ol is CCC(CO)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)butan-1-ol?
The InChIKey is AQMOSUMJYZLGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-2-5(4-10)9-3-6(7)8/h5-6,9-10H,2-4H2,1H3.
What are the key properties of 2-(2,2-difluoroethylamino)butan-1-ol?
2-(2,2-difluoroethylamino)butan-1-ol has a molecular weight of 153.17 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)butan-1-ol is sourced from PubChem (CID 60922929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).