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

C11H17F6NO — CID 103312038

IUPAC1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine
SMILESNC(CCCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO/c12-10(13,14)9(11(15,16)17)8(18)5-1-3-7-4-2-6-19-7/h7-9H,1-6,18H2
InChIKeyXNBGQHDBVDTNNL-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.40
Rot. Bonds5

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

1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine (PubChem CID 103312038) has the molecular formula C11H17F6NO and a molecular weight of 293.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine
PubChem CID103312038
Molecular FormulaC11H17F6NO
Molecular Weight293.25 g/mol
Exact Mass293.12
IUPAC Name1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine
SMILESNC(CCCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO/c12-10(13,14)9(11(15,16)17)8(18)5-1-3-7-4-2-6-19-7/h7-9H,1-6,18H2
InChIKeyXNBGQHDBVDTNNL-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(3-Amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,1,3,3,3-pentafluoropropan-2-amine
CID 130427376
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 61491326
2-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 61748889
1-Cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 63355084
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64503225
1,1,1-Trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164238
5,5,5-Trifluoro-1-(oxan-4-yl)pentan-2-amine
CID 79953746
1,1,1-Trifluoro-7-(oxolan-2-yl)heptan-4-amine
CID 79953752
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-4-amine
CID 80435246
3,3,3-Trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine
CID 82534366

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine?
The IUPAC name of 1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine (CID 103312038) is 1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine is NC(CCCC1CCCO1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine?
The InChIKey is XNBGQHDBVDTNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO/c12-10(13,14)9(11(15,16)17)8(18)5-1-3-7-4-2-6-19-7/h7-9H,1-6,18H2.
What are the key properties of 1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine?
1,1,1-trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine has a molecular weight of 293.25 g/mol, XLogP of 3.40, 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)-2-(trifluoromethyl)hexan-3-amine is sourced from PubChem (CID 103312038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).