4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

C16H28F3NO — CID 62609736

IUPAC4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C16H28F3NO/c1-15(2,3)12-4-7-14(21)11(8-12)9-20(13-5-6-13)10-16(17,18)19/h11-14,21H,4-10H2,1-3H3
InChIKeyHNIFOBUBABXGMK-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.84
Rot. Bonds4

About 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol

4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (PubChem CID 62609736) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
PubChem CID62609736
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC Name4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C16H28F3NO/c1-15(2,3)12-4-7-14(21)11(8-12)9-20(13-5-6-13)10-16(17,18)19/h11-14,21H,4-10H2,1-3H3
InChIKeyHNIFOBUBABXGMK-UHFFFAOYSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol (CID 62609736) is 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is CC(C)(C)C1CCC(O)C(CN(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is HNIFOBUBABXGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c1-15(2,3)12-4-7-14(21)11(8-12)9-20(13-5-6-13)10-16(17,18)19/h11-14,21H,4-10H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol?
4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 307.40 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 62609736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).