3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol

C10H18F3NO — CID 64568001

IUPAC3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-7-14-6-1-3-9(14)4-2-8-15/h9,15H,1-8H2
InChIKeyVDUUDODWSOCOTE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.18
Rot. Bonds5

About 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol

3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 64568001) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID64568001
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol
SMILESOCCCC1CCCN1CCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-7-14-6-1-3-9(14)4-2-8-15/h9,15H,1-8H2
InChIKeyVDUUDODWSOCOTE-UHFFFAOYSA-N
XLogP2.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol (CID 64568001) is 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol is OCCCC1CCCN1CCC(F)(F)F.
What is the InChIKey of 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is VDUUDODWSOCOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)5-7-14-6-1-3-9(14)4-2-8-15/h9,15H,1-8H2.
What are the key properties of 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 64568001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).