1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol

C14H26F3NO — CID 115516173

IUPAC1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol
SMILESCC1CCC(C(O)CCCC(F)(F)F)(N(C)C)CC1
InChIInChI=1S/C14H26F3NO/c1-11-6-9-13(10-7-11,18(2)3)12(19)5-4-8-14(15,16)17/h11-12,19H,4-10H2,1-3H3
InChIKeyCXEWZKDNGFCVOI-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.59
Rot. Bonds5

About 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol

1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol (PubChem CID 115516173) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol
PubChem CID115516173
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol
SMILESCC1CCC(C(O)CCCC(F)(F)F)(N(C)C)CC1
InChIInChI=1S/C14H26F3NO/c1-11-6-9-13(10-7-11,18(2)3)12(19)5-4-8-14(15,16)17/h11-12,19H,4-10H2,1-3H3
InChIKeyCXEWZKDNGFCVOI-UHFFFAOYSA-N
XLogP3.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol (CID 115516173) is 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol is CC1CCC(C(O)CCCC(F)(F)F)(N(C)C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol?
The InChIKey is CXEWZKDNGFCVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-11-6-9-13(10-7-11,18(2)3)12(19)5-4-8-14(15,16)17/h11-12,19H,4-10H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol?
1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 115516173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).