3-(4,4,4-trifluorobutylamino)butan-1-ol

C8H16F3NO — CID 83177888

IUPAC3-(4,4,4-trifluorobutylamino)butan-1-ol
SMILESCC(CCO)NCCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(3-6-13)12-5-2-4-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeySSDNGSGKUCLFOD-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.69
Rot. Bonds6

About 3-(4,4,4-trifluorobutylamino)butan-1-ol

3-(4,4,4-trifluorobutylamino)butan-1-ol (PubChem CID 83177888) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutylamino)butan-1-ol.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutylamino)butan-1-ol
PubChem CID83177888
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3-(4,4,4-trifluorobutylamino)butan-1-ol
SMILESCC(CCO)NCCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(3-6-13)12-5-2-4-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeySSDNGSGKUCLFOD-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.69
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

5-methyl-N-(4,4,4-trifluorobutyl)hexan-2-amine
CID 81343293
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
3-(3-fluoropropylamino)butan-1-ol
CID 83177066
6,6,6-trifluoro-N-(3-methylsulfanylpropyl)hexan-2-amine
CID 116534805
N-(1-bromopropan-2-yl)-4,4,4-trifluorobutan-1-amine
CID 107859586
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
3-(octylamino)butan-1-ol
CID 83177243
2-methyl-3-(4,4,4-trifluorobutylamino)butan-2-ol
CID 115516246
N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 63226562
3-(ethylamino)butan-1-ol
CID 12636119
3-(pent-4-ynylamino)butan-1-ol
CID 115977666

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutylamino)butan-1-ol?
The IUPAC name of 3-(4,4,4-trifluorobutylamino)butan-1-ol (CID 83177888) is 3-(4,4,4-trifluorobutylamino)butan-1-ol.
What is the SMILES notation for 3-(4,4,4-trifluorobutylamino)butan-1-ol?
The canonical SMILES for 3-(4,4,4-trifluorobutylamino)butan-1-ol is CC(CCO)NCCCC(F)(F)F.
What is the InChIKey of 3-(4,4,4-trifluorobutylamino)butan-1-ol?
The InChIKey is SSDNGSGKUCLFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(3-6-13)12-5-2-4-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 3-(4,4,4-trifluorobutylamino)butan-1-ol?
3-(4,4,4-trifluorobutylamino)butan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutylamino)butan-1-ol is sourced from PubChem (CID 83177888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).