2,2-difluoro-3-(4-methylpentylamino)propan-1-ol

C9H19F2NO — CID 102673320

IUPAC2,2-difluoro-3-(4-methylpentylamino)propan-1-ol
SMILESCC(C)CCCNCC(F)(F)CO
InChIInChI=1S/C9H19F2NO/c1-8(2)4-3-5-12-6-9(10,11)7-13/h8,12-13H,3-7H2,1-2H3
InChIKeyLCDBLMQGGSNTDJ-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.64
Rot. Bonds7

About 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol

2,2-difluoro-3-(4-methylpentylamino)propan-1-ol (PubChem CID 102673320) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(4-methylpentylamino)propan-1-ol
PubChem CID102673320
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2,2-difluoro-3-(4-methylpentylamino)propan-1-ol
SMILESCC(C)CCCNCC(F)(F)CO
InChIInChI=1S/C9H19F2NO/c1-8(2)4-3-5-12-6-9(10,11)7-13/h8,12-13H,3-7H2,1-2H3
InChIKeyLCDBLMQGGSNTDJ-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Ethylhexylhydroxypropylamine
CID 60683005
2,2-Difluoro-3-[(3-propan-2-ylcyclobutyl)amino]propan-1-ol
CID 103578510
2,2-Difluoro-3-[(3-methylcyclobutyl)amino]propan-1-ol
CID 104860563
(1S)-1-(2,2-difluoropropylamino)-3-[(3S)-3-methylpiperidin-1-yl]propan-1-ol
CID 144185224
3-[4-(2,2-Difluorocyclopropyl)butylamino]propan-1-ol
CID 146582865
(3R,4S,5S)-3-methyl-5-(trifluoromethyl)piperidin-4-ol
CID 149178234
[3,3-Difluoro-2-(hydroxymethyl)butyl]-methylazanium
CID 153565684
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine
CID 156566719
(4,4-Difluoropiperidin-3-yl)methanol;ethane
CID 156750006
3-(2,2,4,4-Tetrafluoropentylamino)propan-1-ol
CID 157681285
3-[(3-Ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
CID 164877162
Ethane;3-[(3-ethylcyclobutyl)amino]-2,2-difluoropropan-1-ol
CID 164877253

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol (CID 102673320) is 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol is CC(C)CCCNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol?
The InChIKey is LCDBLMQGGSNTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-8(2)4-3-5-12-6-9(10,11)7-13/h8,12-13H,3-7H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol?
2,2-difluoro-3-(4-methylpentylamino)propan-1-ol has a molecular weight of 195.25 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(4-methylpentylamino)propan-1-ol is sourced from PubChem (CID 102673320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).