(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide

C15H18F3NO2 — CID 99834856

IUPAC(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
SMILESO=C([C@H]1CCCO1)N(CCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)8-9-19(11-12-5-2-1-3-6-12)14(20)13-7-4-10-21-13/h1-3,5-6,13H,4,7-11H2/t13-/m1/s1
InChIKeyFCOPSQGFSHSOCW-CYBMUJFWSA-N
MW301.31 g/mol
LogP3.15
Rot. Bonds5

About (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide

(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide (PubChem CID 99834856) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
PubChem CID99834856
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide
SMILESO=C([C@H]1CCCO1)N(CCC(F)(F)F)Cc1ccccc1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)8-9-19(11-12-5-2-1-3-6-12)14(20)13-7-4-10-21-13/h1-3,5-6,13H,4,7-11H2/t13-/m1/s1
InChIKeyFCOPSQGFSHSOCW-CYBMUJFWSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-amino-2-oxoethyl)-N-[(4-phenylphenyl)methyl]oxolane-2-carboxamide
CID 94537928
N-(2-phenylethyl)-N-(quinolin-2-ylmethyl)oxolane-2-carboxamide
CID 42789365
(2S)-N-[(3-chlorophenyl)methyl]-N-(2-hydroxyethyl)oxolane-2-carboxamide
CID 91662725
2-[(4-chlorophenyl)methyl-(oxolane-2-carbonyl)amino]acetic acid
CID 119193651
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]oxolane-2-carboxamide
CID 51081068
3-[benzyl-(2-methyloxane-3-carbonyl)amino]propanoic acid
CID 136553511
(2S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]oxolane-2-carboxamide
CID 94671367
(2S)-N-[4-[[benzyl(propyl)carbamoyl]amino]phenyl]oxolane-2-carboxamide
CID 51945893
4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-(furan-2-ylmethyl)-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide;2,2,2-trifluoroacetic acid
CID 154886122
3-(N-[(2R)-oxolane-2-carbonyl]anilino)propanoic acid
CID 93332713
N-benzyl-N-(2-hydroxy-2-methylpropyl)-2-methyloxane-3-carboxamide
CID 129000788

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide (CID 99834856) is (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide is O=C([C@H]1CCCO1)N(CCC(F)(F)F)Cc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide?
The InChIKey is FCOPSQGFSHSOCW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)8-9-19(11-12-5-2-1-3-6-12)14(20)13-7-4-10-21-13/h1-3,5-6,13H,4,7-11H2/t13-/m1/s1.
What are the key properties of (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide?
(2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide has a molecular weight of 301.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-N-(3,3,3-trifluoropropyl)oxolane-2-carboxamide is sourced from PubChem (CID 99834856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).