3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol

C9H16F3NO — CID 103358047

IUPAC3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(14)4-6-13(7-8)5-2-3-9(10,11)12/h14H,2-7H2,1H3
InChIKeyHAORQGSXOCPSFM-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.79
Rot. Bonds3

About 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol

3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol (PubChem CID 103358047) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
PubChem CID103358047
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-8(14)4-6-13(7-8)5-2-3-9(10,11)12/h14H,2-7H2,1H3
InChIKeyHAORQGSXOCPSFM-UHFFFAOYSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-(pyrrolidin-1-yl)butan-2-ol
CID 79359808
1-Methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 59504971
1-Propan-2-yl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 61978000
1-Cyclopropyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 62976986
3-(Difluoromethyl)-1-propan-2-ylpyrrolidin-3-ol
CID 80605832
3-Methyl-1-(2,2,2-trifluoro-1-iodoethyl)pyrrolidin-3-ol
CID 89182269
(3R)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910943
(3S)-1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 94910944
3-Methyl-1-(1,1,1-trifluoro-3-methylbutan-2-yl)pyrrolidin-3-ol
CID 117706292
3-Methyl-1-(1,1,1-trifluoropropan-2-yl)pyrrolidin-3-ol
CID 117709648
1-Ethyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 124199965
3-(Fluoromethyl)-1-methylpyrrolidin-3-ol
CID 126759752

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol (CID 103358047) is 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol is CC1(O)CCN(CCCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
The InChIKey is HAORQGSXOCPSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(14)4-6-13(7-8)5-2-3-9(10,11)12/h14H,2-7H2,1H3.
What are the key properties of 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol has a molecular weight of 211.23 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-3-ol is sourced from PubChem (CID 103358047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).