5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol

C13H24F3NO — CID 79067574

IUPAC5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol
SMILESCCC(CC)(C(O)CCC(F)(F)F)N1CCCC1
InChIInChI=1S/C13H24F3NO/c1-3-12(4-2,17-9-5-6-10-17)11(18)7-8-13(14,15)16/h11,18H,3-10H2,1-2H3
InChIKeyMDFFCAXZCQGULY-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds6

About 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol

5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol (PubChem CID 79067574) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol.

Molecular Properties

Compound Name5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol
PubChem CID79067574
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol
SMILESCCC(CC)(C(O)CCC(F)(F)F)N1CCCC1
InChIInChI=1S/C13H24F3NO/c1-3-12(4-2,17-9-5-6-10-17)11(18)7-8-13(14,15)16/h11,18H,3-10H2,1-2H3
InChIKeyMDFFCAXZCQGULY-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-3-pyrrolidin-1-yldecan-4-ol
CID 79068138
N,3-diethyl-8,8,8-trifluoro-3-pyrrolidin-1-yloctan-4-amine
CID 115517230
3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol
CID 79573999
1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
CID 79065246
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644
1-(2-chloro-3-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 115983601
7,7,7-trifluoro-2-methyl-2-pyrrolidin-1-ylheptan-3-amine
CID 115517171
4-ethyl-2-methyl-4-pyrrolidin-1-ylhex-1-en-3-amine
CID 79179296
1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79067815
1-(2,6-difluorophenyl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79067738
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol?
The IUPAC name of 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol (CID 79067574) is 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol.
What is the SMILES notation for 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol?
The canonical SMILES for 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol is CCC(CC)(C(O)CCC(F)(F)F)N1CCCC1.
What is the InChIKey of 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol?
The InChIKey is MDFFCAXZCQGULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-12(4-2,17-9-5-6-10-17)11(18)7-8-13(14,15)16/h11,18H,3-10H2,1-2H3.
What are the key properties of 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol?
5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol has a molecular weight of 267.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol is sourced from PubChem (CID 79067574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).