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

C8H17F2NO — CID 103787947

IUPAC1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
SMILESCCCC(C)NCC(O)C(F)F
InChIInChI=1S/C8H17F2NO/c1-3-4-6(2)11-5-7(12)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyJXCJHZRLFJVWCO-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.39
Rot. Bonds6

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

1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol (PubChem CID 103787947) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
PubChem CID103787947
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol
SMILESCCCC(C)NCC(O)C(F)F
InChIInChI=1S/C8H17F2NO/c1-3-4-6(2)11-5-7(12)8(9)10/h6-8,11-12H,3-5H2,1-2H3
InChIKeyJXCJHZRLFJVWCO-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
3-(1-cyclobutylpropan-2-ylamino)-1,1-difluoropropan-2-ol
CID 103787931
1-N-pentan-2-yl-2-N-propan-2-ylpropane-1,2-diamine
CID 62570127
1-(pentan-2-ylamino)-3-propan-2-yloxypropan-2-ol
CID 60634427
methyl 2-hydroxy-3-(pentan-2-ylamino)propanoate
CID 107886724
1-(heptan-2-ylamino)-3-methylpentan-2-ol
CID 115719538
(1R)-1-(4-fluorophenyl)-2-[[(2R)-pentan-2-yl]amino]ethanol
CID 138488448
3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol
CID 103740416
N-(2,2-dimethoxyethyl)pentan-2-amine
CID 60816170
3-methyl-1-N-pentan-2-ylbutane-1,2-diamine
CID 107886793
N-(2-chlorobutyl)pentan-2-amine
CID 107887575
1-(butan-2-ylamino)pentan-2-ol
CID 21435603

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol (CID 103787947) is 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol is CCCC(C)NCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol?
The InChIKey is JXCJHZRLFJVWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-3-4-6(2)11-5-7(12)8(9)10/h6-8,11-12H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol?
1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol has a molecular weight of 181.23 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(pentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 103787947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).