1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol

C9H16F3NO — CID 104581912

IUPAC1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol
SMILESC=CCCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-4-5-7(2)13-6-8(14)9(10,11)12/h3,7-8,13-14H,1,4-6H2,2H3
InChIKeyUPKKUFUGXQHMTE-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.85
Rot. Bonds6

About 1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol (PubChem CID 104581912) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol
PubChem CID104581912
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol
SMILESC=CCCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-3-4-5-7(2)13-6-8(14)9(10,11)12/h3,7-8,13-14H,1,4-6H2,2H3
InChIKeyUPKKUFUGXQHMTE-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol (CID 104581912) is 1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol is C=CCCC(C)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol?
The InChIKey is UPKKUFUGXQHMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-3-4-5-7(2)13-6-8(14)9(10,11)12/h3,7-8,13-14H,1,4-6H2,2H3.
What are the key properties of 1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(hex-5-en-2-ylamino)propan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.85, 6 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-(hex-5-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 104581912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).