1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

C12H22F3NO — CID 65208426

IUPAC1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CC(F)(F)F)CC1(O)CCCCC1
InChIInChI=1S/C12H22F3NO/c1-2-8-16(10-12(13,14)15)9-11(17)6-4-3-5-7-11/h17H,2-10H2,1H3
InChIKeyMBBWTIQUHPECTD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.96
Rot. Bonds5

About 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65208426) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID65208426
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCCCN(CC(F)(F)F)CC1(O)CCCCC1
InChIInChI=1S/C12H22F3NO/c1-2-8-16(10-12(13,14)15)9-11(17)6-4-3-5-7-11/h17H,2-10H2,1H3
InChIKeyMBBWTIQUHPECTD-UHFFFAOYSA-N
XLogP2.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-((Dimethylamino)methyl)cyclohexan-1-ol
CID 13610222
1-Methyl-4-(4,4,4-trifluorobutyl)piperidin-4-ol
CID 115515262
4-(3,3-Difluorobutyl)-1-methylpiperidin-4-ol
CID 144699623
4-(4,4-Difluorobutyl)-1-methylpiperidin-4-ol
CID 146582687
1-[3-(Dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol
CID 174485716
4,4-Difluoro-1-[(propan-2-ylamino)methyl]cyclohexan-1-ol
CID 177955087
4,4-Difluoro-1-(methylaminomethyl)cyclohexan-1-ol;ethane
CID 177955466
1-{[(2,2,2-Trifluoroethyl)amino]methyl}cyclohexan-1-ol
CID 60899407
1-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexan-1-ol
CID 61518526
1-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 61518926
1-[[3-(Trifluoromethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 61519135
1-[(3,3,3-Trifluoropropylamino)methyl]cyclohexan-1-ol
CID 63227075

Frequently Asked Questions

What is the IUPAC name of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 65208426) is 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CCCN(CC(F)(F)F)CC1(O)CCCCC1.
What is the InChIKey of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is MBBWTIQUHPECTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-8-16(10-12(13,14)15)9-11(17)6-4-3-5-7-11/h17H,2-10H2,1H3.
What are the key properties of 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65208426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).