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

C7H14F3NO — CID 170646332

IUPACethane;3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC.OC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H8F3NO.C2H6/c6-5(7,8)4(10)1-2-9-3-4;1-2/h9-10H,1-3H2;1-2H3
InChIKeyLUGDAAMBXOLYBI-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds

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

ethane;3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 170646332) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is ethane;3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Nameethane;3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID170646332
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Nameethane;3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC.OC1(C(F)(F)F)CCNC1
InChIInChI=1S/C5H8F3NO.C2H6/c6-5(7,8)4(10)1-2-9-3-4;1-2/h9-10H,1-3H2;1-2H3
InChIKeyLUGDAAMBXOLYBI-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,2-difluoro-2-(3-hydroxypyrrolidin-3-yl)acetate
CID 131412933
3-(trichloromethyl)pyrrolidin-3-ol;hydrochloride
CID 154577165
2-(3-hydroxypyrrolidin-3-yl)-2-methylpropanenitrile
CID 79130079
oxolane;4-(trifluoromethyl)piperidin-4-ol
CID 175226361
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
3,3-difluoro-4-methylpiperidin-4-ol
CID 156550387
3-methyl-3-(trifluoromethyl)pyrrolidine;hydrochloride
CID 105443984
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120900966
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119800778
(3S)-3-tert-butyl-3-fluoropyrrolidine
CID 129375471
bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl formate;4-(trifluoromethyl)piperidin-4-ol
CID 174428984
N-cyclopentyl-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227271

Frequently Asked Questions

What is the IUPAC name of ethane;3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of ethane;3-(trifluoromethyl)pyrrolidin-3-ol (CID 170646332) is ethane;3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for ethane;3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for ethane;3-(trifluoromethyl)pyrrolidin-3-ol is CC.OC1(C(F)(F)F)CCNC1.
What is the InChIKey of ethane;3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is LUGDAAMBXOLYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.C2H6/c6-5(7,8)4(10)1-2-9-3-4;1-2/h9-10H,1-3H2;1-2H3.
What are the key properties of ethane;3-(trifluoromethyl)pyrrolidin-3-ol?
ethane;3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 170646332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).