ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol

C8H16F3NO — CID 164869971

IUPACethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC.CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO.C2H6/c1-10-3-2-5(11,4-10)6(7,8)9;1-2/h11H,2-4H2,1H3;1-2H3
InChIKeyCUUGVKSMDZKSTA-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.64
Rot. Bonds

About ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol

ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 164869971) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID164869971
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Nameethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC.CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C6H10F3NO.C2H6/c1-10-3-2-5(11,4-10)6(7,8)9;1-2/h11H,2-4H2,1H3;1-2H3
InChIKeyCUUGVKSMDZKSTA-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.64
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 ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 164869971) is ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol is CC.CN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is CUUGVKSMDZKSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.C2H6/c1-10-3-2-5(11,4-10)6(7,8)9;1-2/h11H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol?
ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 199.22 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 164869971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).