1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol

C9H19F2NO — CID 106290497

IUPAC1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-4-5-9(3,13)6-12-7(2)8(10)11/h7-8,12-13H,4-6H2,1-3H3
InChIKeyTWPDYWWNQOEZHH-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.78
Rot. Bonds6

About 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol

1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol (PubChem CID 106290497) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol
PubChem CID106290497
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNC(C)C(F)F
InChIInChI=1S/C9H19F2NO/c1-4-5-9(3,13)6-12-7(2)8(10)11/h7-8,12-13H,4-6H2,1-3H3
InChIKeyTWPDYWWNQOEZHH-UHFFFAOYSA-N
XLogP1.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-Trifluoro-4,4-dimethyl-2-(methylaminomethyl)pentan-2-ol
CID 57672652
(3R)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59458429
(3R)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459016
(3S)-1,1,1-trifluoro-4-methyl-3-(methylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459249
(3S)-1,1,1-trifluoro-4-methyl-3-(propan-2-ylamino)-2-(trifluoromethyl)pentan-2-ol
CID 59459432
1,1,1-trifluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 70321196
(3R)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 88974920
(3S)-1,1,1-trifluoro-3-(propan-2-ylamino)-2-(trifluoromethyl)butan-2-ol
CID 89019029
2-[(2S)-4,4-difluoropyrrolidin-2-yl]propan-2-ol
CID 89826230
2-(4,4-Difluoropyrrolidin-2-yl)propan-2-ol
CID 89826233
1,1,1-Trifluoro-2-methyl-4-(methylamino)pentan-2-ol
CID 117736611
2-[[(4-Aminocyclohexyl)amino]methyl]-1,1,1-trifluorobutan-2-ol
CID 121379110

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol?
The IUPAC name of 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol (CID 106290497) is 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol?
The canonical SMILES for 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol is CCCC(C)(O)CNC(C)C(F)F.
What is the InChIKey of 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol?
The InChIKey is TWPDYWWNQOEZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-4-5-9(3,13)6-12-7(2)8(10)11/h7-8,12-13H,4-6H2,1-3H3.
What are the key properties of 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol?
1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol has a molecular weight of 195.25 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropan-2-ylamino)-2-methylpentan-2-ol is sourced from PubChem (CID 106290497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).