3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol

C8H14F3NO — CID 148568567

IUPAC3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol
SMILESCC1(C(O)CC(F)(F)F)CCNC1
InChIInChI=1S/C8H14F3NO/c1-7(2-3-12-5-7)6(13)4-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyMWKSJPFCLUCRCQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.30
Rot. Bonds2

About 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol

3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol (PubChem CID 148568567) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol
PubChem CID148568567
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol
SMILESCC1(C(O)CC(F)(F)F)CCNC1
InChIInChI=1S/C8H14F3NO/c1-7(2-3-12-5-7)6(13)4-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyMWKSJPFCLUCRCQ-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol (CID 148568567) is 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol is CC1(C(O)CC(F)(F)F)CCNC1.
What is the InChIKey of 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol?
The InChIKey is MWKSJPFCLUCRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2-3-12-5-7)6(13)4-8(9,10)11/h6,12-13H,2-5H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol?
3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(3-methylpyrrolidin-3-yl)propan-1-ol is sourced from PubChem (CID 148568567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).