3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C11H19F4NO — CID 165490777

IUPAC3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN(CCCF)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C11H19F4NO/c1-16(6-2-5-12)10-7-8(17)3-4-9(10)11(13,14)15/h8-10,17H,2-7H2,1H3
InChIKeyPZGOSZMNJGZTEQ-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.37
Rot. Bonds4

About 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490777) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490777
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC Name3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN(CCCF)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C11H19F4NO/c1-16(6-2-5-12)10-7-8(17)3-4-9(10)11(13,14)15/h8-10,17H,2-7H2,1H3
InChIKeyPZGOSZMNJGZTEQ-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608867
{4-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexyl}methanol
CID 75433495
3-[Methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
CID 79618015
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618218
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618881
3-[Ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618988
3-[Propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79619207
[4-[Methyl(5,5,5-trifluoropentyl)amino]cyclohexyl]methanol
CID 109883023
3-[2,2-Difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 116316870
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490777) is 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CN(CCCF)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is PZGOSZMNJGZTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c1-16(6-2-5-12)10-7-8(17)3-4-9(10)11(13,14)15/h8-10,17H,2-7H2,1H3.
What are the key properties of 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 257.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoropropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).