1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol

C11H20F3NO — CID 115712102

IUPAC1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol
SMILESCC(C)=CCCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(2)5-4-6-9(3)15-7-10(16)11(12,13)14/h5,9-10,15-16H,4,6-7H2,1-3H3
InChIKeyXZYJJFTWSRSQGZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.63
Rot. Bonds6

About 1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol

1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol (PubChem CID 115712102) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol
PubChem CID115712102
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol
SMILESCC(C)=CCCC(C)NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8(2)5-4-6-9(3)15-7-10(16)11(12,13)14/h5,9-10,15-16H,4,6-7H2,1-3H3
InChIKeyXZYJJFTWSRSQGZ-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.63
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-(6-methylhept-5-en-2-ylamino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol (CID 115712102) is 1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol is CC(C)=CCCC(C)NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol?
The InChIKey is XZYJJFTWSRSQGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)5-4-6-9(3)15-7-10(16)11(12,13)14/h5,9-10,15-16H,4,6-7H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol?
1,1,1-trifluoro-3-(6-methylhept-5-en-2-ylamino)propan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.63, 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-(6-methylhept-5-en-2-ylamino)propan-2-ol is sourced from PubChem (CID 115712102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).