4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol

C15H29F2NO — CID 165491992

IUPAC4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol
SMILESCC(C)N(CC(F)F)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C15H29F2NO/c1-10(2)18(9-14(16)17)13-8-11(19)6-7-12(13)15(3,4)5/h10-14,19H,6-9H2,1-5H3
InChIKeyRCONBOKRCGACCT-UHFFFAOYSA-N
MW277.40 g/mol
LogP3.54
Rot. Bonds4

About 4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol

4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol (PubChem CID 165491992) has the molecular formula C15H29F2NO and a molecular weight of 277.40 g/mol. Its IUPAC name is 4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol
PubChem CID165491992
Molecular FormulaC15H29F2NO
Molecular Weight277.40 g/mol
Exact Mass277.22
IUPAC Name4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol
SMILESCC(C)N(CC(F)F)C1CC(O)CCC1C(C)(C)C
InChIInChI=1S/C15H29F2NO/c1-10(2)18(9-14(16)17)13-8-11(19)6-7-12(13)15(3,4)5/h10-14,19H,6-9H2,1-5H3
InChIKeyRCONBOKRCGACCT-UHFFFAOYSA-N
XLogP3.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Tert-butyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765157
4-Tert-butyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765342
4-Tert-butyl-2-[ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765538
4-Tert-butyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765906
4-Tert-butyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609042
4-Tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609391
4-Tert-butyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609553
4-Propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62703991
4-Tert-butyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexan-1-ol
CID 65530303
4-Tert-butyl-2-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
CID 65531551
4-Tert-butyl-2-[[2,2-difluoroethyl(methyl)amino]methyl]cyclohexan-1-ol
CID 113503083
4-Tert-butyl-2-[2,2-difluoroethyl(methyl)amino]cyclohexan-1-ol
CID 116316863

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol (CID 165491992) is 4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol is CC(C)N(CC(F)F)C1CC(O)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol?
The InChIKey is RCONBOKRCGACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2NO/c1-10(2)18(9-14(16)17)13-8-11(19)6-7-12(13)15(3,4)5/h10-14,19H,6-9H2,1-5H3.
What are the key properties of 4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol?
4-tert-butyl-3-[2,2-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol has a molecular weight of 277.40 g/mol, XLogP of 3.54, 4 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-difluoroethyl(propan-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165491992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).