(2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol

C8H18FNO — CID 146245024

IUPAC(2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol
SMILESCCC[C@H](F)[C@@H](O)CN(C)C
InChIInChI=1S/C8H18FNO/c1-4-5-7(9)8(11)6-10(2)3/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyRCJUQEZAEIINFC-YUMQZZPRSA-N
MW163.24 g/mol
LogP1.05
Rot. Bonds5

About (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol

(2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol (PubChem CID 146245024) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol.

Molecular Properties

Compound Name(2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol
PubChem CID146245024
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC Name(2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol
SMILESCCC[C@H](F)[C@@H](O)CN(C)C
InChIInChI=1S/C8H18FNO/c1-4-5-7(9)8(11)6-10(2)3/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyRCJUQEZAEIINFC-YUMQZZPRSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[Bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,6-heptafluorohexan-2-OL
CID 71348184
1-(Dimethylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
CID 138396345
hexane, 1-(N-2-hydroxybutyl-N-2-hydroxyethyl)amino-
CID 23423728
hexane, 1-(N-2-hydroxybutyl-N-2-hydroxypropyl)amino-
CID 23423730
Hexane, 1-(bis-2-hydroxybutyl)amino-
CID 23423731
1-(Dimethylamino)decan-2-ol
CID 13509384
N-Dimethyl-n-butyl-athanolamin
CID 21765375
(3-Fluoro-2-hydroxypentyl)-trimethylazanium
CID 22987536
(3-Fluoro-2-hydroxybutyl)-trimethylazanium
CID 22987539
6-[2-Fluoroethyl(propyl)amino]hexan-1-ol
CID 58019312
[3-(Fluoromethyl)-2-hydroxyheptyl]-trimethylazanium
CID 87169846
[3-(Fluoromethyl)-2-hydroxypentyl]-trimethylazanium
CID 87169908

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol?
The IUPAC name of (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol (CID 146245024) is (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol.
What is the SMILES notation for (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol?
The canonical SMILES for (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol is CCC[C@H](F)[C@@H](O)CN(C)C.
What is the InChIKey of (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol?
The InChIKey is RCJUQEZAEIINFC-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H18FNO/c1-4-5-7(9)8(11)6-10(2)3/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol?
(2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol has a molecular weight of 163.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(dimethylamino)-3-fluorohexan-2-ol is sourced from PubChem (CID 146245024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).