3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol

C14H28F3NO — CID 157184165

IUPAC3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCCCCCCCCCNCC(C)(O)C(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-3-4-5-6-7-8-9-10-11-18-12-13(2,19)14(15,16)17/h18-19H,3-12H2,1-2H3
InChIKeyBWFKISVLHKUBMJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.03
Rot. Bonds11

About 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol

3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 157184165) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID157184165
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCCCCCCCCCCNCC(C)(O)C(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-3-4-5-6-7-8-9-10-11-18-12-13(2,19)14(15,16)17/h18-19H,3-12H2,1-2H3
InChIKeyBWFKISVLHKUBMJ-UHFFFAOYSA-N
XLogP4.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.03
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-methyl-1-(octylamino)propan-2-ol
CID 65103945
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
2-(tetradecylamino)ethane-1,1,1-triol
CID 54121591
(2S)-3-(ethylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 146248092
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
N-(2,2-difluorobutyl)dodecan-1-amine
CID 159120167
2,2-difluoro-3-(pentylamino)propan-1-ol
CID 106172944
N-butyltetradecan-1-amine
CID 3548872
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
(2S)-1,1,1-trifluoro-2-methylheptan-2-ol
CID 147580819
2-(hydroxymethyl)-2-[(octadecylamino)methyl]propane-1,3-diol
CID 87300700
2,2-dimethyl-N-octadecyloctadecan-1-amine
CID 172556284

Frequently Asked Questions

What is the IUPAC name of 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol (CID 157184165) is 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol is CCCCCCCCCCNCC(C)(O)C(F)(F)F.
What is the InChIKey of 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is BWFKISVLHKUBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-3-4-5-6-7-8-9-10-11-18-12-13(2,19)14(15,16)17/h18-19H,3-12H2,1-2H3.
What are the key properties of 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol?
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 283.38 g/mol, XLogP of 4.03, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 157184165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).