(3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone

C17H15F2NO — CID 171396749

IUPAC(3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone
SMILESC=Cc1cccc2cc(C(=O)N3CCC(F)(F)C3)ccc12
InChIInChI=1S/C17H15F2NO/c1-2-12-4-3-5-13-10-14(6-7-15(12)13)16(21)20-9-8-17(18,19)11-20/h2-7,10H,1,8-9,11H2
InChIKeyLAKHDALJWDILMT-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.96
Rot. Bonds2

About (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone

(3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone (PubChem CID 171396749) has the molecular formula C17H15F2NO and a molecular weight of 287.31 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone
PubChem CID171396749
Molecular FormulaC17H15F2NO
Molecular Weight287.31 g/mol
Exact Mass287.11
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone
SMILESC=Cc1cccc2cc(C(=O)N3CCC(F)(F)C3)ccc12
InChIInChI=1S/C17H15F2NO/c1-2-12-4-3-5-13-10-14(6-7-15(12)13)16(21)20-9-8-17(18,19)11-20/h2-7,10H,1,8-9,11H2
InChIKeyLAKHDALJWDILMT-UHFFFAOYSA-N
XLogP3.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,3-difluoropiperidin-1-yl)-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]methanone
CID 171396815
[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 170459978
[3-(3,3-difluoropyrrolidine-1-carbonyl)quinolin-8-yl]boronic acid
CID 174048232
(3,3-difluoropiperidin-1-yl)-(6-hydroxynaphthalen-1-yl)methanone
CID 171934660
(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155289431
tert-butyl N-[(3S)-1-(5-ethenylnaphthalene-2-carbonyl)piperidin-3-yl]carbamate
CID 171396759
(6-bromo-5-chloronaphthalen-2-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 126602255
(3,3-difluoropiperidin-1-yl)-[3-(methylamino)phenyl]methanone
CID 116991445
6-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2H-phthalazin-1-one
CID 154667306
(3-bromo-4-methylsulfonylphenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 175686516
4-[6-(4,4-difluoropiperidine-1-carbonyl)naphthalen-1-yl]-2-fluoro-6-methoxybenzoic acid
CID 154667112
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone (CID 171396749) is (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone is C=Cc1cccc2cc(C(=O)N3CCC(F)(F)C3)ccc12.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone?
The InChIKey is LAKHDALJWDILMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO/c1-2-12-4-3-5-13-10-14(6-7-15(12)13)16(21)20-9-8-17(18,19)11-20/h2-7,10H,1,8-9,11H2.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone?
(3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone has a molecular weight of 287.31 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-(5-ethenylnaphthalen-2-yl)methanone is sourced from PubChem (CID 171396749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).