1-amino-7,7,7-trifluoro-3-methylheptan-3-ol

C8H16F3NO — CID 115519619

IUPAC1-amino-7,7,7-trifluoro-3-methylheptan-3-ol
SMILESCC(O)(CCN)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(13,5-6-12)3-2-4-8(9,10)11/h13H,2-6,12H2,1H3
InChIKeyXOKRPLMNOWXUDV-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.82
Rot. Bonds5

About 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol

1-amino-7,7,7-trifluoro-3-methylheptan-3-ol (PubChem CID 115519619) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol.

Molecular Properties

Compound Name1-amino-7,7,7-trifluoro-3-methylheptan-3-ol
PubChem CID115519619
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name1-amino-7,7,7-trifluoro-3-methylheptan-3-ol
SMILESCC(O)(CCN)CCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(13,5-6-12)3-2-4-8(9,10)11/h13H,2-6,12H2,1H3
InChIKeyXOKRPLMNOWXUDV-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol?
The IUPAC name of 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol (CID 115519619) is 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol.
What is the SMILES notation for 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol?
The canonical SMILES for 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol is CC(O)(CCN)CCCC(F)(F)F.
What is the InChIKey of 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol?
The InChIKey is XOKRPLMNOWXUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(13,5-6-12)3-2-4-8(9,10)11/h13H,2-6,12H2,1H3.
What are the key properties of 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol?
1-amino-7,7,7-trifluoro-3-methylheptan-3-ol has a molecular weight of 199.22 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7,7,7-trifluoro-3-methylheptan-3-ol is sourced from PubChem (CID 115519619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).