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

C10H18F3NO — CID 115516320

IUPAC6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine
SMILESNC(CCCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-1-3-8(14)7-9-4-2-6-15-9/h8-9H,1-7,14H2
InChIKeyVMLVVAZOQMZLKP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds5

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

6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine (PubChem CID 115516320) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine
PubChem CID115516320
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine
SMILESNC(CCCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-1-3-8(14)7-9-4-2-6-15-9/h8-9H,1-7,14H2
InChIKeyVMLVVAZOQMZLKP-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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Related Compounds

1,3-bis(oxolan-2-yl)propan-2-amine
CID 62601237
5-methyl-1-(oxolan-2-yl)hexan-2-amine
CID 62599893
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943
6,6,6-trifluoro-1-(oxolan-3-yl)hexan-2-amine
CID 103986760
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1-cyclopropyl-3-(oxolan-2-yl)propan-2-amine
CID 64905481
(2R)-2-amino-3-[(2R)-oxan-2-yl]propan-1-ol;hydrochloride
CID 176655691
(2S)-2-fluoro-3-[(2R)-oxolan-2-yl]propan-1-amine
CID 129462699
1-methoxy-3-(oxolan-2-yl)propan-2-amine
CID 62604472
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
(2R)-1-(oxolan-2-yl)propan-2-amine
CID 104932128
1,1,1-trifluoro-3-(oxan-2-yl)propan-2-ol
CID 131515753

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine (CID 115516320) is 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine is NC(CCCC(F)(F)F)CC1CCCO1.
What is the InChIKey of 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine?
The InChIKey is VMLVVAZOQMZLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)5-1-3-8(14)7-9-4-2-6-15-9/h8-9H,1-7,14H2.
What are the key properties of 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine?
6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-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 6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine is sourced from PubChem (CID 115516320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).