1,1,1-trifluoro-5-(methylamino)hexan-3-ol

C7H14F3NO — CID 87223753

IUPAC1,1,1-trifluoro-5-(methylamino)hexan-3-ol
SMILESCNC(C)CC(O)CC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(11-2)3-6(12)4-7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyHOTAEJIAASSXIN-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds4

About 1,1,1-trifluoro-5-(methylamino)hexan-3-ol

1,1,1-trifluoro-5-(methylamino)hexan-3-ol (PubChem CID 87223753) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(methylamino)hexan-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(methylamino)hexan-3-ol
PubChem CID87223753
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name1,1,1-trifluoro-5-(methylamino)hexan-3-ol
SMILESCNC(C)CC(O)CC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(11-2)3-6(12)4-7(8,9)10/h5-6,11-12H,3-4H2,1-2H3
InChIKeyHOTAEJIAASSXIN-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-4,4,5,5,6,6,6-heptafluorohexan-3-ol
CID 62948392
2-(Trifluoromethyl)piperidin-4-ol
CID 53427165
(2R,4S)-2-(Trifluoromethyl)piperidin-4-OL
CID 16080225
4-(Methylamino)pentan-2-ol
CID 5252148
2-(Difluoromethyl)piperidin-4-ol
CID 9793851
1,1,1-Trifluoro-4-methylamino-2-butanol
CID 21928328
4,4,4-Trifluoro-3-(methylamino)butan-1-ol
CID 83815517
(R)-1,1,1-Trifluoro-4-methylamino-2-butanol
CID 86594857
1,1,1-Trifluoro-4-(2-methylpropylamino)hexan-2-ol
CID 89162252
1,1,1-Trifluoro-4-(methylamino)hexan-2-ol
CID 117736610
(2R,4R)-2-(difluoromethyl)piperidin-4-ol
CID 139634681
(2S,3R)-2-ethyl-4,4-difluoropyrrolidin-3-ol
CID 141303945

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-(methylamino)hexan-3-ol?
The IUPAC name of 1,1,1-trifluoro-5-(methylamino)hexan-3-ol (CID 87223753) is 1,1,1-trifluoro-5-(methylamino)hexan-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-5-(methylamino)hexan-3-ol?
The canonical SMILES for 1,1,1-trifluoro-5-(methylamino)hexan-3-ol is CNC(C)CC(O)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-(methylamino)hexan-3-ol?
The InChIKey is HOTAEJIAASSXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(11-2)3-6(12)4-7(8,9)10/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-(methylamino)hexan-3-ol?
1,1,1-trifluoro-5-(methylamino)hexan-3-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-(methylamino)hexan-3-ol is sourced from PubChem (CID 87223753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).