4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol

C11H20F3NO — CID 166157735

IUPAC4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)NCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(2)15-7-9-3-5-10(16,6-4-9)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyDBTQUYYGMRKKMN-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds3

About 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol

4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 166157735) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID166157735
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)NCC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(2)15-7-9-3-5-10(16,6-4-9)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyDBTQUYYGMRKKMN-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol (CID 166157735) is 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol is CC(C)NCC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is DBTQUYYGMRKKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)15-7-9-3-5-10(16,6-4-9)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3.
What are the key properties of 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol?
4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)methyl]-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 166157735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).