1-(3,3,3-trifluoropropylamino)butan-2-ol

C7H14F3NO — CID 63226283

IUPAC1-(3,3,3-trifluoropropylamino)butan-2-ol
SMILESCCC(O)CNCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-6(12)5-11-4-3-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyRHHGCECDNRTDBO-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds5

About 1-(3,3,3-trifluoropropylamino)butan-2-ol

1-(3,3,3-trifluoropropylamino)butan-2-ol (PubChem CID 63226283) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropylamino)butan-2-ol.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropylamino)butan-2-ol
PubChem CID63226283
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name1-(3,3,3-trifluoropropylamino)butan-2-ol
SMILESCCC(O)CNCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-6(12)5-11-4-3-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyRHHGCECDNRTDBO-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.30
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-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974
1-(2-methoxyethoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 106989915
N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine
CID 78914464
1-[2-(butylamino)ethylamino]butan-2-ol
CID 54163788
1-(octadecylamino)butan-2-ol
CID 174541083
1-(2-methoxyethylamino)butan-2-ol
CID 60885611
1-(4-methoxyphenoxy)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63227399
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1-[(2,2-difluoro-3-hydroxypropyl)amino]butan-2-ol
CID 106176261
3,3-dimethyl-1-N-(3,3,3-trifluoropropyl)butane-1,2-diamine
CID 112555996
1,1,1-trifluoro-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518334
1-(4-propan-2-ylphenyl)-2-(3,3,3-trifluoropropylamino)ethanol
CID 63227305

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropylamino)butan-2-ol?
The IUPAC name of 1-(3,3,3-trifluoropropylamino)butan-2-ol (CID 63226283) is 1-(3,3,3-trifluoropropylamino)butan-2-ol.
What is the SMILES notation for 1-(3,3,3-trifluoropropylamino)butan-2-ol?
The canonical SMILES for 1-(3,3,3-trifluoropropylamino)butan-2-ol is CCC(O)CNCCC(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoropropylamino)butan-2-ol?
The InChIKey is RHHGCECDNRTDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-2-6(12)5-11-4-3-7(8,9)10/h6,11-12H,2-5H2,1H3.
What are the key properties of 1-(3,3,3-trifluoropropylamino)butan-2-ol?
1-(3,3,3-trifluoropropylamino)butan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropylamino)butan-2-ol is sourced from PubChem (CID 63226283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).