4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol

C12H21F6NO — CID 175075695

IUPAC4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol
SMILESCC(C)CC(CCN)C(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F6NO/c1-7(2)6-9(4-5-19)8(3)10(20,11(13,14)15)12(16,17)18/h7-9,20H,4-6,19H2,1-3H3
InChIKeyAYWZSESPTBSXQB-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.49
Rot. Bonds6

About 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol

4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol (PubChem CID 175075695) has the molecular formula C12H21F6NO and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol
PubChem CID175075695
Molecular FormulaC12H21F6NO
Molecular Weight309.29 g/mol
Exact Mass309.15
IUPAC Name4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol
SMILESCC(C)CC(CCN)C(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H21F6NO/c1-7(2)6-9(4-5-19)8(3)10(20,11(13,14)15)12(16,17)18/h7-9,20H,4-6,19H2,1-3H3
InChIKeyAYWZSESPTBSXQB-UHFFFAOYSA-N
XLogP3.49
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol with MolForge

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Related Compounds

1-(1-Aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79125232
1-(1-Aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79126440
1-(1-Aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79416179
3-(Aminomethyl)-7,7,7-trifluoro-2-methylheptan-3-ol
CID 81874441
4-Amino-2-cyclopentyl-1,1,1-trifluorobutan-2-ol
CID 83916808
4-Amino-2-cyclopentyl-3,3-difluorobutan-2-ol
CID 105446951
3-(Aminomethyl)-8,8,8-trifluoro-4-methyloctan-4-ol
CID 116536392
6-(Aminomethyl)-1,1,1-trifluoro-5-methylnonan-5-ol
CID 116536399
1-Amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol
CID 116536400
1-(1-Aminopropan-2-yl)-4,4-difluorocyclohexan-1-ol
CID 165788488
7-Amino-2,3,6-trimethylheptan-2-ol
CID 134214019
7-Amino-2-methyl-3-propan-2-ylheptan-3-ol
CID 172999458

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol?
The IUPAC name of 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol (CID 175075695) is 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol.
What is the SMILES notation for 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol?
The canonical SMILES for 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol is CC(C)CC(CCN)C(C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol?
The InChIKey is AYWZSESPTBSXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F6NO/c1-7(2)6-9(4-5-19)8(3)10(20,11(13,14)15)12(16,17)18/h7-9,20H,4-6,19H2,1-3H3.
What are the key properties of 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol?
4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol has a molecular weight of 309.29 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol is sourced from PubChem (CID 175075695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).