cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

C17H24F3NO — CID 70681012

IUPACcis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESCC1(C)C[C@H](O)C[C@](C)(CNc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3NO/c1-15(2)8-14(22)9-16(3,10-15)11-21-13-6-4-5-12(7-13)17(18,19)20/h4-7,14,21-22H,8-11H2,1-3H3/t14-,16-/m0/s1
InChIKeyMJQAWGOTAFTPJK-HOCLYGCPSA-N
MW315.38 g/mol
LogP4.69
Rot. Bonds3

About cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol

cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (PubChem CID 70681012) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
PubChem CID70681012
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Namecis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
SMILESCC1(C)C[C@H](O)C[C@](C)(CNc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C17H24F3NO/c1-15(2)8-14(22)9-16(3,10-15)11-21-13-6-4-5-12(7-13)17(18,19)20/h4-7,14,21-22H,8-11H2,1-3H3/t14-,16-/m0/s1
InChIKeyMJQAWGOTAFTPJK-HOCLYGCPSA-N
XLogP4.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

cis-(1S,3R)-3-[(3-chloro-5-fluoroanilino)methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 53343287
Icmt-IN-17
CID 53388038
3-[[(1R,5S)-5-hydroxy-1,3,3-trimethylcyclohexyl]methylamino]benzonitrile
CID 70681013
cis-(1S,5R)-3,3,5-trimethyl-5-[[2-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol
CID 70687374
cis-(1S,3R)-3-(anilinomethyl)-3,5,5-trimethylcyclohexan-1-ol
CID 70689436
cis-(1S,3R)-3-[[4-chloro-3-(trifluoromethyl)anilino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 70689437
cis-(1S,3R)-3-[[3-chloro-5-(trifluoromethyl)anilino]methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 70691544
cis-(1S,3R)-3-[(4-chloroanilino)methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 70693637
cis-(1S,3R)-3-[(3-chloroanilino)methyl]-3,5,5-trimethylcyclohexan-1-ol
CID 70695745
trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 11172972
6-[4-(Trifluoromethyl)anilino]hexan-1-ol
CID 103801964
2-(3-Toluidino)cyclohexanol
CID 12397121

Frequently Asked Questions

What is the IUPAC name of cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The IUPAC name of cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol (CID 70681012) is cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is CC1(C)C[C@H](O)C[C@](C)(CNc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
The InChIKey is MJQAWGOTAFTPJK-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-15(2)8-14(22)9-16(3,10-15)11-21-13-6-4-5-12(7-13)17(18,19)20/h4-7,14,21-22H,8-11H2,1-3H3/t14-,16-/m0/s1.
What are the key properties of cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol?
cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol has a molecular weight of 315.38 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,5R)-3,3,5-trimethyl-5-[[3-(trifluoromethyl)anilino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 70681012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).