2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol

C7H11F6NO — CID 90251319

IUPAC2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol
SMILESNC(CO)CC(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)2-4(7(11,12)13)1-5(14)3-15/h4-5,15H,1-3,14H2
InChIKeyXNYBTEKYQYGQDX-UHFFFAOYSA-N
MW239.16 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol

2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol (PubChem CID 90251319) has the molecular formula C7H11F6NO and a molecular weight of 239.16 g/mol. Its IUPAC name is 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol
PubChem CID90251319
Molecular FormulaC7H11F6NO
Molecular Weight239.16 g/mol
Exact Mass239.07
IUPAC Name2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol
SMILESNC(CO)CC(CC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H11F6NO/c8-6(9,10)2-4(7(11,12)13)1-5(14)3-15/h4-5,15H,1-3,14H2
InChIKeyXNYBTEKYQYGQDX-UHFFFAOYSA-N
XLogP1.83
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-1,1,1-trifluoro-5-methylhexan-2-ol
CID 4001149
2-Amino-3-(3,3-difluorocyclobutyl)propan-1-ol hydrochloride
CID 165978685
2-Amino-2-(3,3-difluorocyclobutyl)ethan-1-ol hydrochloride
CID 165693400
(2S,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol
CID 2376727
(2R,3S)-3-amino-1,1,1-trifluoro-5-methylhexan-2-ol
CID 2376732
2-Amino-5,5,5-trifluoro-4-(trifluoromethyl)pentan-1-ol
CID 9834465
(2S,4S)-2-amino-5,5,5-trifluoro-4-methylpentan-1-ol;hydrochloride
CID 13675225
(2S,4S)-2-amino-5,5,5-trifluoro-4-methylpentan-1-ol
CID 13675226
2-Amino-2-(3,3-difluorocyclobutyl)ethan-1-ol
CID 69085898
3-Amino-4-cyclopropyl-1,1,1-trifluorobutan-2-ol
CID 69526589
2-Amino-6,6,6-trifluorohexan-1-ol
CID 79021134
2-Amino-5,5,5-trifluoro-3-methylpentan-1-ol
CID 86001725

Frequently Asked Questions

What is the IUPAC name of 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol?
The IUPAC name of 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol (CID 90251319) is 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol is NC(CO)CC(CC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol?
The InChIKey is XNYBTEKYQYGQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6NO/c8-6(9,10)2-4(7(11,12)13)1-5(14)3-15/h4-5,15H,1-3,14H2.
What are the key properties of 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol?
2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol has a molecular weight of 239.16 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,6,6-trifluoro-4-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 90251319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).