1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol

C7H11F6NO — CID 115518334

IUPAC1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol
SMILESOC(CNCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)2-1-3-14-4-5(15)7(11,12)13/h5,14-15H,1-4H2
InChIKeyRIJCKFQUJUUDHE-UHFFFAOYSA-N
MW239.16 g/mol
LogP1.84
Rot. Bonds5

About 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol

1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol (PubChem CID 115518334) has the molecular formula C7H11F6NO and a molecular weight of 239.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol
PubChem CID115518334
Molecular FormulaC7H11F6NO
Molecular Weight239.16 g/mol
Exact Mass239.07
IUPAC Name1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol
SMILESOC(CNCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)2-1-3-14-4-5(15)7(11,12)13/h5,14-15H,1-4H2
InChIKeyRIJCKFQUJUUDHE-UHFFFAOYSA-N
XLogP1.84
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 51.84
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

1,1,1-trifluoro-3-(pentylamino)propan-2-ol
CID 63900220
4-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butanamide
CID 63900234
2-amino-3-(4,4,4-trifluorobutylamino)propanamide
CID 103261924
1,1,1-trifluoro-3-[2-(methylamino)ethylamino]propan-2-ol
CID 123282561
2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
CID 83143358
1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 63226283
1-[4-(2-methylpropyl)phenyl]-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518399
1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760283
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
1-(4-methylsulfonylphenyl)-2-(4,4,4-trifluorobutylamino)ethanol
CID 115518341
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
1-(cyclopropylmethoxy)-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518339

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol (CID 115518334) is 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol is OC(CNCCCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol?
The InChIKey is RIJCKFQUJUUDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO/c8-6(9,10)2-1-3-14-4-5(15)7(11,12)13/h5,14-15H,1-4H2.
What are the key properties of 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol?
1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol has a molecular weight of 239.16 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol is sourced from PubChem (CID 115518334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).