4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol

C14H27F2NO — CID 165491996

IUPAC4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC(C)(F)F)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C14H27F2NO/c1-13(2,3)11-7-6-10(18)8-12(11)17(5)9-14(4,15)16/h10-12,18H,6-9H2,1-5H3
InChIKeyVNSQFTHLNKWNOU-UHFFFAOYSA-N
MW263.37 g/mol
LogP3.15
Rot. Bonds3

About 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol

4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol (PubChem CID 165491996) has the molecular formula C14H27F2NO and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
PubChem CID165491996
Molecular FormulaC14H27F2NO
Molecular Weight263.37 g/mol
Exact Mass263.21
IUPAC Name4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol
SMILESCN(CC(C)(F)F)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C14H27F2NO/c1-13(2,3)11-7-6-10(18)8-12(11)17(5)9-14(4,15)16/h10-12,18H,6-9H2,1-5H3
InChIKeyVNSQFTHLNKWNOU-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol (CID 165491996) is 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol is CN(CC(C)(F)F)C1CC(O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol?
The InChIKey is VNSQFTHLNKWNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F2NO/c1-13(2,3)11-7-6-10(18)8-12(11)17(5)9-14(4,15)16/h10-12,18H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol?
4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol has a molecular weight of 263.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[2,2-difluoropropyl(methyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165491996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).