1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C13H25F2NO — CID 165458047

IUPAC1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(C(F)(F)CN)CC1
InChIInChI=1S/C13H25F2NO/c1-4-11(2,3)10-5-7-12(17,8-6-10)13(14,15)9-16/h10,17H,4-9,16H2,1-3H3
InChIKeyGBIDKOKJKBRAEF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.94
Rot. Bonds4

About 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 165458047) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID165458047
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(C(F)(F)CN)CC1
InChIInChI=1S/C13H25F2NO/c1-4-11(2,3)10-5-7-12(17,8-6-10)13(14,15)9-16/h10,17H,4-9,16H2,1-3H3
InChIKeyGBIDKOKJKBRAEF-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 165458047) is 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(C(F)(F)CN)CC1.
What is the InChIKey of 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is GBIDKOKJKBRAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-4-11(2,3)10-5-7-12(17,8-6-10)13(14,15)9-16/h10,17H,4-9,16H2,1-3H3.
What are the key properties of 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,1-difluoroethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 165458047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).