N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C10H17F3N2O2 — CID 64913092

IUPACN-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-7(16)2-4-15-8(17)9(10(11,12)13)3-5-14-6-9/h7,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyHEOXXEWDNFRACH-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.42
Rot. Bonds4

About N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 64913092) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID64913092
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C10H17F3N2O2/c1-7(16)2-4-15-8(17)9(10(11,12)13)3-5-14-6-9/h7,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyHEOXXEWDNFRACH-UHFFFAOYSA-N
XLogP0.42
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 64913092) is N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(O)CCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is HEOXXEWDNFRACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-7(16)2-4-15-8(17)9(10(11,12)13)3-5-14-6-9/h7,14,16H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 64913092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).