1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol

C8H17F2NO2 — CID 82009085

IUPAC1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCOCC(F)F
InChIInChI=1S/C8H17F2NO2/c1-8(12,6-11)3-2-4-13-5-7(9)10/h7,12H,2-6,11H2,1H3
InChIKeyRIJDKSZEBYZBSR-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.76
Rot. Bonds7

About 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol

1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol (PubChem CID 82009085) has the molecular formula C8H17F2NO2 and a molecular weight of 197.22 g/mol. Its IUPAC name is 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
PubChem CID82009085
Molecular FormulaC8H17F2NO2
Molecular Weight197.22 g/mol
Exact Mass197.12
IUPAC Name1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
SMILESCC(O)(CN)CCCOCC(F)F
InChIInChI=1S/C8H17F2NO2/c1-8(12,6-11)3-2-4-13-5-7(9)10/h7,12H,2-6,11H2,1H3
InChIKeyRIJDKSZEBYZBSR-UHFFFAOYSA-N
XLogP0.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-5-(2-methoxyethoxy)-2-methylpentan-2-ol
CID 64812317
4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine
CID 82003924
1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol
CID 64814822
2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810676
3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
CID 106714392
6-(2,2-difluoroethoxy)hexan-1-amine
CID 82006295
1-amino-4-(2-ethylhexoxy)-2-methylbutan-2-ol
CID 64815027
1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol
CID 66278597
1-amino-3-(3-amino-2-hydroxy-2-methylpropoxy)-2-methylpropan-2-ol
CID 87837706
1-amino-2-methyl-5-phenoxypentan-2-ol
CID 64814632
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139

Frequently Asked Questions

What is the IUPAC name of 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol?
The IUPAC name of 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol (CID 82009085) is 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol is CC(O)(CN)CCCOCC(F)F.
What is the InChIKey of 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol?
The InChIKey is RIJDKSZEBYZBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO2/c1-8(12,6-11)3-2-4-13-5-7(9)10/h7,12H,2-6,11H2,1H3.
What are the key properties of 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol?
1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol has a molecular weight of 197.22 g/mol, XLogP of 0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol is sourced from PubChem (CID 82009085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).