(3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol

C10H20FNO — CID 129309243

IUPAC(3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol
SMILESCC1CC(CF)CN(C)C[C@H](O)C1
InChIInChI=1S/C10H20FNO/c1-8-3-9(5-11)6-12(2)7-10(13)4-8/h8-10,13H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyUSBFQLLRPZAPFE-UDNWOFFPSA-N
MW189.27 g/mol
LogP1.29
Rot. Bonds1

About (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol

(3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol (PubChem CID 129309243) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol.

Molecular Properties

Compound Name(3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol
PubChem CID129309243
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol
SMILESCC1CC(CF)CN(C)C[C@H](O)C1
InChIInChI=1S/C10H20FNO/c1-8-3-9(5-11)6-12(2)7-10(13)4-8/h8-10,13H,3-7H2,1-2H3/t8?,9?,10-/m1/s1
InChIKeyUSBFQLLRPZAPFE-UDNWOFFPSA-N
XLogP1.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(Fluoromethyl)-2-hydroxyheptyl]-trimethylazanium
CID 87169846
[3-(Fluoromethyl)-2-hydroxyhexyl]-trimethylazanium
CID 87169983
(6R,8S)-6-fluoro-8-(2-methylpropyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
CID 176776789
7-Methyl-1-azabicyclo[3.3.1]nonan-3-ol
CID 18986088
1,4-Dimethylazocan-3-ol
CID 122548031
8-Ethyl-1-methyl-7-propylazocan-3-ol
CID 123268092
5,7-Dimethylazocan-3-ol
CID 134179601
1-(Diethylamino)-6-methylheptan-2-ol
CID 243257
1-(Dibutylamino)-6-methylheptan-2-ol
CID 243259
1-(Dimethylamino)-4-methylheptan-2-ol
CID 79087208
1-(Azocan-1-yl)-3-methylpentan-2-ol
CID 80447399
1-(Dimethylamino)-6-methylheptan-2-ol
CID 83160905

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol?
The IUPAC name of (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol (CID 129309243) is (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol.
What is the SMILES notation for (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol?
The canonical SMILES for (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol is CC1CC(CF)CN(C)C[C@H](O)C1.
What is the InChIKey of (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol?
The InChIKey is USBFQLLRPZAPFE-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H20FNO/c1-8-3-9(5-11)6-12(2)7-10(13)4-8/h8-10,13H,3-7H2,1-2H3/t8?,9?,10-/m1/s1.
What are the key properties of (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol?
(3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol has a molecular weight of 189.27 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(fluoromethyl)-1,5-dimethylazocan-3-ol is sourced from PubChem (CID 129309243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).