2,2-difluoro-3-(propan-2-ylamino)propan-1-ol

C6H13F2NO — CID 104860621

IUPAC2,2-difluoro-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NCC(F)(F)CO
InChIInChI=1S/C6H13F2NO/c1-5(2)9-3-6(7,8)4-10/h5,9-10H,3-4H2,1-2H3
InChIKeyOWAYACNBFUWHIO-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.61
Rot. Bonds4

About 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol

2,2-difluoro-3-(propan-2-ylamino)propan-1-ol (PubChem CID 104860621) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(propan-2-ylamino)propan-1-ol
PubChem CID104860621
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2,2-difluoro-3-(propan-2-ylamino)propan-1-ol
SMILESCC(C)NCC(F)(F)CO
InChIInChI=1S/C6H13F2NO/c1-5(2)9-3-6(7,8)4-10/h5,9-10H,3-4H2,1-2H3
InChIKeyOWAYACNBFUWHIO-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

3-((2,2,2-Trifluoroethyl)amino)propan-1-ol
CID 43393584
3-(Methylamino)butan-1-ol
CID 12636118
3-(Ethylamino)butan-1-ol
CID 12636119
3-(Isopropylamino)propanol
CID 2063457
2-((2,2-Difluoropropyl)amino)ethanol
CID 2758357
2,2-Difluoro-3-(methylamino)propan-1-ol
CID 55299587
2-[(2,2,2-Trifluoroethyl)amino]butan-1-ol
CID 43499784
4,4-Difluoro-3-(methylamino)butan-1-ol hydrochloride
CID 145913414
2-Methylisopropylaminoethanol
CID 20572331
1,1,1-Trifluoro-3-[(propan-2-yl)amino]propan-2-ol
CID 19417382
1,1,1-Trifluoro-4-methylamino-2-butanol
CID 21928328
2-Fluoro-3-(methylamino)propan-1-ol
CID 55299470

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol (CID 104860621) is 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol is CC(C)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol?
The InChIKey is OWAYACNBFUWHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-5(2)9-3-6(7,8)4-10/h5,9-10H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol?
2,2-difluoro-3-(propan-2-ylamino)propan-1-ol has a molecular weight of 153.17 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 104860621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).