1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine

C10H15F6NO — CID 103312041

IUPAC1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
SMILESNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO/c11-9(12,13)8(10(14,15)16)7(17)4-3-6-2-1-5-18-6/h6-8H,1-5,17H2
InChIKeyLKUIMTBDPOICLN-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.01
Rot. Bonds4

About 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine

1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine (PubChem CID 103312041) has the molecular formula C10H15F6NO and a molecular weight of 279.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
PubChem CID103312041
Molecular FormulaC10H15F6NO
Molecular Weight279.22 g/mol
Exact Mass279.11
IUPAC Name1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
SMILESNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO/c11-9(12,13)8(10(14,15)16)7(17)4-3-6-2-1-5-18-6/h6-8H,1-5,17H2
InChIKeyLKUIMTBDPOICLN-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(2-Amino-1,1,2-trifluoroethyl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine
CID 130427371
2-[5-(3-Amino-1,1,1,2,3-pentafluoropropan-2-yl)oxolan-2-yl]-1,2,3,3,3-pentafluoropropan-1-amine
CID 130427375
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
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
(2R)-1,3,3-trifluoro-2-methyl-3-(oxolan-2-yl)propan-1-amine
CID 166889514
1,1,1-Trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
6,6,6-Trifluoro-1-(oxolan-2-yl)hexan-3-amine
CID 79953156
3,3,3-Trifluoro-2-(oxolan-2-ylmethyl)propan-1-amine
CID 82534366
4,4,4-Trifluoro-3-(oxolan-2-ylmethyl)butan-1-amine
CID 82534815
1,1,1-Trifluoro-6-(oxolan-2-yl)-2-(trifluoromethyl)hexan-3-amine
CID 103312038
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312042
1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine
CID 103312043

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine (CID 103312041) is 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine is NC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
The InChIKey is LKUIMTBDPOICLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO/c11-9(12,13)8(10(14,15)16)7(17)4-3-6-2-1-5-18-6/h6-8H,1-5,17H2.
What are the key properties of 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine has a molecular weight of 279.22 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine is sourced from PubChem (CID 103312041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).