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

C13H24F3NO — CID 103987551

IUPAC6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CC1CCOC1
InChIInChI=1S/C13H24F3NO/c1-2-7-17-12(4-3-6-13(14,15)16)9-11-5-8-18-10-11/h11-12,17H,2-10H2,1H3
InChIKeyLFCKRWOWPASQNH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds8

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

6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine (PubChem CID 103987551) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
PubChem CID103987551
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CC1CCOC1
InChIInChI=1S/C13H24F3NO/c1-2-7-17-12(4-3-6-13(14,15)16)9-11-5-8-18-10-11/h11-12,17H,2-10H2,1H3
InChIKeyLFCKRWOWPASQNH-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5,5-trifluoro-1-(oxan-4-yl)-N-propylpentan-2-amine
CID 79965180
6-methyl-1-(oxolan-3-yl)-N-propylheptan-2-amine
CID 113362206
4-methylsulfonyl-1-(oxolan-3-yl)-N-propylbutan-2-amine
CID 114982647
1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 105174291
N-ethyl-1-(oxolan-3-yl)decan-2-amine
CID 103987183
N-ethyl-1-(oxolan-3-yl)dodecan-2-amine
CID 103987333
6,6,6-trifluoro-1-(oxolan-3-yl)hexan-2-amine
CID 103986760
5,5,5-trifluoro-1-(oxan-3-yl)-N-propylpentan-1-amine
CID 113327066
4-cyclohexyl-1-(oxan-4-yl)-N-propylbutan-2-amine
CID 115846851
3-methyl-1-(oxolan-3-yl)-N-propylpentan-2-amine
CID 103987457
8,8,8-trifluoro-2-methyl-N-propyloctan-4-amine
CID 115516392
1-cyclopentyl-6,6,6-trifluoro-N-propylhexan-3-amine
CID 104992726

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine?
The IUPAC name of 6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine (CID 103987551) is 6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine is CCCNC(CCCC(F)(F)F)CC1CCOC1.
What is the InChIKey of 6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine?
The InChIKey is LFCKRWOWPASQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-7-17-12(4-3-6-13(14,15)16)9-11-5-8-18-10-11/h11-12,17H,2-10H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine?
6,6,6-trifluoro-1-(oxolan-3-yl)-N-propylhexan-2-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 8 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-3-yl)-N-propylhexan-2-amine is sourced from PubChem (CID 103987551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).