[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol

C11H20F3NO — CID 116534943

IUPAC[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCC(CCCC(F)(F)F)NCC1(CO)CC1
InChIInChI=1S/C11H20F3NO/c1-9(3-2-4-11(12,13)14)15-7-10(8-16)5-6-10/h9,15-16H,2-8H2,1H3
InChIKeyARTPIPYJAUIMSG-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds7

About [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol

[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol (PubChem CID 116534943) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
PubChem CID116534943
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCC(CCCC(F)(F)F)NCC1(CO)CC1
InChIInChI=1S/C11H20F3NO/c1-9(3-2-4-11(12,13)14)15-7-10(8-16)5-6-10/h9,15-16H,2-8H2,1H3
InChIKeyARTPIPYJAUIMSG-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 148887826
CID 148887826
6,6,6-trifluoro-N-(3,3,3-trifluoropropyl)hexan-2-amine
CID 116534777
1-cyclopropyl-2-(6,6,6-trifluorohexan-2-ylamino)ethanol
CID 116534784
2-[1-[(nonan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750822
3-(4,4,4-trifluorobutylamino)butan-1-ol
CID 83177888
6,6,6-trifluoro-N-(2-piperidin-1-ylpropyl)hexan-2-amine
CID 116534627
6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine
CID 116534698
[1-[(2,6-dimethylheptan-4-ylamino)methyl]cyclopropyl]methanol
CID 81344009
6,6,6-trifluoro-N-(2-methoxypropyl)hexan-2-amine
CID 102696096
6,6,6-trifluoro-N-hexylhexan-2-amine
CID 116534124
N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]propyl]ethanesulfonamide
CID 131933547
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]butanoate
CID 115454875

Frequently Asked Questions

What is the IUPAC name of [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol (CID 116534943) is [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol is CC(CCCC(F)(F)F)NCC1(CO)CC1.
What is the InChIKey of [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol?
The InChIKey is ARTPIPYJAUIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9(3-2-4-11(12,13)14)15-7-10(8-16)5-6-10/h9,15-16H,2-8H2,1H3.
What are the key properties of [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol?
[1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 116534943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).