(3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine

C8H16F3NO — CID 103151204

IUPAC(3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCC[C@@H](N)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-3-7(12)4-5-13-6-8(9,10)11/h7H,2-6,12H2,1H3/t7-/m1/s1
InChIKeyPNZGROAALOYEJQ-SSDOTTSWSA-N
MW199.22 g/mol
LogP2.08
Rot. Bonds6

About (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine

(3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 103151204) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name(3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID103151204
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name(3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCC[C@@H](N)CCOCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-2-3-7(12)4-5-13-6-8(9,10)11/h7H,2-6,12H2,1H3/t7-/m1/s1
InChIKeyPNZGROAALOYEJQ-SSDOTTSWSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(Trifluoromethoxy)hexan-3-amine
CID 89074188
2,2,3,3,4,4,5,5-Octafluoro-6-pentoxyhexan-1-amine
CID 121403368
1-Butoxy-1-fluorohexan-2-amine
CID 139846232
N-butoxysulfanyl-6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine
CID 163278184
6,6-Difluoro-1-(2-methoxyethoxy)heptan-3-amine
CID 163279016
(3R)-1-(trifluoromethoxy)pentan-3-amine
CID 169266071
(3R)-1-(difluoromethoxy)pentan-3-amine
CID 169266139
(3R)-1-ethoxy-1,1-difluoropentan-3-amine
CID 170384078
1-Ethoxy-1,1-difluoropentan-3-amine
CID 170384112
Ethane;1-ethoxy-1,1-difluoropentan-3-amine
CID 170584924
1-(Difluoromethoxy)-4,4-difluoropentan-3-amine;ethane
CID 170584959
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexoxy)propylazanium
CID 171752157

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 103151204) is (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine is CCC[C@@H](N)CCOCC(F)(F)F.
What is the InChIKey of (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is PNZGROAALOYEJQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-2-3-7(12)4-5-13-6-8(9,10)11/h7H,2-6,12H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
(3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 199.22 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 103151204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).