3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol

C13H24F3NO — CID 104924912

IUPAC3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(CCCC(F)(F)F)NCC1CCCC(O)C1
InChIInChI=1S/C13H24F3NO/c1-10(4-3-7-13(14,15)16)17-9-11-5-2-6-12(18)8-11/h10-12,17-18H,2-9H2,1H3
InChIKeyBUWDBXOMRJXTAP-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.25
Rot. Bonds6

About 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol

3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 104924912) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID104924912
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(CCCC(F)(F)F)NCC1CCCC(O)C1
InChIInChI=1S/C13H24F3NO/c1-10(4-3-7-13(14,15)16)17-9-11-5-2-6-12(18)8-11/h10-12,17-18H,2-9H2,1H3
InChIKeyBUWDBXOMRJXTAP-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
CID 75428345
6,6,6-trifluoro-N-[(1-methylpiperidin-4-yl)methyl]hexan-2-amine
CID 116534698
4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol
CID 104862000
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
3-[(pentan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271338
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 102612821
3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 114146569
3-[(1-cyclopropylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271439
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
3-[[1-[3-(trifluoromethyl)phenyl]ethylamino]methyl]cyclohexan-1-ol
CID 103785891
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

Frequently Asked Questions

What is the IUPAC name of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol (CID 104924912) is 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol is CC(CCCC(F)(F)F)NCC1CCCC(O)C1.
What is the InChIKey of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is BUWDBXOMRJXTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(4-3-7-13(14,15)16)17-9-11-5-2-6-12(18)8-11/h10-12,17-18H,2-9H2,1H3.
What are the key properties of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 104924912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).