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

C10H18F3NO — CID 115712103

IUPAC1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol
SMILESC=CCC(C)C(C)NCC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-5-7(2)8(3)14-6-9(15)10(11,12)13/h4,7-9,14-15H,1,5-6H2,2-3H3
InChIKeyHXIJYDWPDCGRCA-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.10
Rot. Bonds6

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

1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol (PubChem CID 115712103) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol
PubChem CID115712103
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol
SMILESC=CCC(C)C(C)NCC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-5-7(2)8(3)14-6-9(15)10(11,12)13/h4,7-9,14-15H,1,5-6H2,2-3H3
InChIKeyHXIJYDWPDCGRCA-UHFFFAOYSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.10
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-(3-methylhex-5-en-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol (CID 115712103) is 1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol is C=CCC(C)C(C)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol?
The InChIKey is HXIJYDWPDCGRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-5-7(2)8(3)14-6-9(15)10(11,12)13/h4,7-9,14-15H,1,5-6H2,2-3H3.
What are the key properties of 1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(3-methylhex-5-en-2-ylamino)propan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.10, 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-(3-methylhex-5-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 115712103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).