1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine

C10H18F3NO — CID 65164238

IUPAC1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
SMILESNC(CCCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-8(14)3-1-4-9-5-2-6-15-9/h8-9H,1-7,14H2
InChIKeyMSRREAMDHUQJMC-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds5

About 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine

1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine (PubChem CID 65164238) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
PubChem CID65164238
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
SMILESNC(CCCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-8(14)3-1-4-9-5-2-6-15-9/h8-9H,1-7,14H2
InChIKeyMSRREAMDHUQJMC-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine (CID 65164238) is 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine is NC(CCCC1CCCO1)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine?
The InChIKey is MSRREAMDHUQJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)7-8(14)3-1-4-9-5-2-6-15-9/h8-9H,1-7,14H2.
What are the key properties of 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine?
1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 65164238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).