2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol

C14H15F6NO — CID 19970044

IUPAC2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1(c2ccc(C(F)(F)F)c(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C14H15F6NO/c15-13(16,17)10-2-1-9(7-11(10)14(18,19)20)12(4-6-22)3-5-21-8-12/h1-2,7,21-22H,3-6,8H2
InChIKeyYBWMIUQLRXPOQS-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.34
Rot. Bonds3

About 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol

2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol (PubChem CID 19970044) has the molecular formula C14H15F6NO and a molecular weight of 327.27 g/mol. Its IUPAC name is 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
PubChem CID19970044
Molecular FormulaC14H15F6NO
Molecular Weight327.27 g/mol
Exact Mass327.11
IUPAC Name2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol
SMILESOCCC1(c2ccc(C(F)(F)F)c(C(F)(F)F)c2)CCNC1
InChIInChI=1S/C14H15F6NO/c15-13(16,17)10-2-1-9(7-11(10)14(18,19)20)12(4-6-22)3-5-21-8-12/h1-2,7,21-22H,3-6,8H2
InChIKeyYBWMIUQLRXPOQS-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol (CID 19970044) is 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol is OCCC1(c2ccc(C(F)(F)F)c(C(F)(F)F)c2)CCNC1.
What is the InChIKey of 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
The InChIKey is YBWMIUQLRXPOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO/c15-13(16,17)10-2-1-9(7-11(10)14(18,19)20)12(4-6-22)3-5-21-8-12/h1-2,7,21-22H,3-6,8H2.
What are the key properties of 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol?
2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol has a molecular weight of 327.27 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3,4-bis(trifluoromethyl)phenyl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 19970044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).