4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol

C14H26F3NO — CID 116534843

IUPAC4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)CCCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-11-5-8-13(19,9-6-11)10-18-12(2)4-3-7-14(15,16)17/h11-12,18-19H,3-10H2,1-2H3
InChIKeyGDHNKRUSOFFQSB-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.64
Rot. Bonds6

About 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol

4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 116534843) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID116534843
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(CNC(C)CCCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-11-5-8-13(19,9-6-11)10-18-12(2)4-3-7-14(15,16)17/h11-12,18-19H,3-10H2,1-2H3
InChIKeyGDHNKRUSOFFQSB-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol (CID 116534843) is 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol is CC1CCC(O)(CNC(C)CCCC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is GDHNKRUSOFFQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11-5-8-13(19,9-6-11)10-18-12(2)4-3-7-14(15,16)17/h11-12,18-19H,3-10H2,1-2H3.
What are the key properties of 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116534843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).