3-(tert-butylamino)-2,2-difluoropropan-1-ol

C7H15F2NO — CID 153299916

IUPAC3-(tert-butylamino)-2,2-difluoropropan-1-ol
SMILESCC(C)(C)NCC(F)(F)CO
InChIInChI=1S/C7H15F2NO/c1-6(2,3)10-4-7(8,9)5-11/h10-11H,4-5H2,1-3H3
InChIKeyIFGAUKYACSLOEI-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.00
Rot. Bonds3

About 3-(tert-butylamino)-2,2-difluoropropan-1-ol

3-(tert-butylamino)-2,2-difluoropropan-1-ol (PubChem CID 153299916) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-(tert-butylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(tert-butylamino)-2,2-difluoropropan-1-ol
PubChem CID153299916
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name3-(tert-butylamino)-2,2-difluoropropan-1-ol
SMILESCC(C)(C)NCC(F)(F)CO
InChIInChI=1S/C7H15F2NO/c1-6(2,3)10-4-7(8,9)5-11/h10-11H,4-5H2,1-3H3
InChIKeyIFGAUKYACSLOEI-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.00
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
2,2-Difluoro-3-(methylamino)propan-1-ol
CID 55299587
4,4-Difluoro-3-(methylamino)butan-1-ol hydrochloride
CID 145913414
2-Methyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 43499804
2-[(1,1-Difluoro-2-methylpropan-2-yl)amino]ethan-1-ol
CID 53764457
2-Fluoro-3-(methylamino)propan-1-ol
CID 55299470
3-(Tert-butylamino)-1,1,1-trifluoropropan-2-ol
CID 57957354
2-(2,2-Difluoroethylamino)-2-methylpropan-1-ol
CID 60922930
3-(2,2-Difluoroethylamino)butan-1-ol
CID 83176464
4,4,4-Trifluoro-3-(methylamino)butan-1-ol
CID 83815517
3-(Ethylamino)-4,4,4-trifluorobutan-1-ol
CID 83816247
4,4,4-Trifluoro-3-(propan-2-ylamino)butan-1-ol
CID 83817419

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(tert-butylamino)-2,2-difluoropropan-1-ol (CID 153299916) is 3-(tert-butylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(tert-butylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(tert-butylamino)-2,2-difluoropropan-1-ol is CC(C)(C)NCC(F)(F)CO.
What is the InChIKey of 3-(tert-butylamino)-2,2-difluoropropan-1-ol?
The InChIKey is IFGAUKYACSLOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-6(2,3)10-4-7(8,9)5-11/h10-11H,4-5H2,1-3H3.
What are the key properties of 3-(tert-butylamino)-2,2-difluoropropan-1-ol?
3-(tert-butylamino)-2,2-difluoropropan-1-ol has a molecular weight of 167.20 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 153299916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).